SCHEMBL186645

SCHEMBL186645

Cc1ccc2cccc(C(=O)O)c2n1.Cc1ccc2cccc(C(=O)O)c2n1.Cl[Ga]

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.66
METAP2 P50579 1/20 0.51
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
CD38 P28907 1/20 0.47
GLO1 Q04760 2/20 0.46
AGTR1 P30556 1/20 0.46
PAX8 Q06710 1/20 0.46
SLC40A1 Q9NP59 1/20 0.46
CCR1 P32246 1/20 0.45
RAB9A P51151 1/20 0.45
CCR5 P51681 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29412561 0.95 PARP1 (0.72) PARP1METAP2MAPTGAACD38
SCHEMBL5319765 0.95 PARP1 (0.72) PARP1METAP2MAPTGAACD38
SCHEMBL29400398 0.93 PARP1 (0.70) PARP1METAP2MAPTGAACD38
SCHEMBL21816896 0.93 PARP1 (0.70) PARP1METAP2MAPTGAACD38
SCHEMBL5149194 0.93 PARP1 (0.70) PARP1METAP2MAPTGAACD38
SCHEMBL27945296 0.93 PARP1 (0.70) PARP1METAP2MAPTGAACD38
Hydrochloric Acid SCHEMBL27648173 0.92 PARP1 (0.68) PARP1METAP2MAPTGAACD38
Phenol SCHEMBL7514748 0.87 PARP1 (0.62) PARP1METAP2MAPTGAACD38
Phenol SCHEMBL28754889 0.86 PARP1 (0.60) PARP1METAP2MAPTGAACD38
Phenol SCHEMBL1547794 0.84 PARP1 (0.59) PARP1METAP2MAPTGAACD38

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9461251-B2 Anthracene derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-10-04 US disclosed
US-9425402-B2 Polymerizable monomer, and material for organic device, hole injection/transport material, material for organic electroluminescence element and organic electroluminescent element each comprising polymer (polymeric compound) of the polymerizable monomer IDEMITSU KOSAN CO., LTD. (JP) 2016-08-23 US disclosed
US-20150084031-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER IDEMITSU KOSAN CO (JP) 2015-03-26 US disclosed
US-8778510-B2 Pyrromethene-boron complex compounds and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-15 US disclosed
US-20130313538-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SONY CORPORATION (JP) 2013-11-28 US disclosed
EP-2402351-B1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO (JP) 2013-10-09 EP disclosed
US-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME MITSUI CHEMICALS, INC. 2012-02-16 US disclosed
US-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER IDEMITSU KOSAN CO., LTD. 2012-01-26 US disclosed
EP-2402351-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-01-04 EP disclosed
US-20110315964-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER IDEMITSU LOSAN CO., LTD. 2011-12-29 US disclosed
US-8013160-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-09-06 US disclosed
US-20110186831-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-08-04 US disclosed
US-20100277063-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-11-04 US disclosed
US-7781628-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-08-24 US disclosed
US-7683225-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-03-23 US disclosed
US-20080303433-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-12-11 US disclosed
EP-1780191-A1 FLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-05-02 EP disclosed
US-20060159956-A1 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100277063-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME LEF1, FLNA, AFF2 PARP1 1078/4885METAP2 2823/4885MAPT 2609/4885
US-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME LEF1, ZRANB2, AFF1 PARP1 471/4885METAP2 2385/4885MAPT 3373/4885
US-20080303433-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME FLNA, AFF2, LEF1 PARP1 828/4885METAP2 3286/4885MAPT 2182/4885
US-20110186831-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME CTCF, SOX18, HNRNPH3 PARP1 2315/4885METAP2 2043/4885MAPT 1368/4885
US-20150084031-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER EPB41, USE1, EPB41L2 PARP1 1442/4885METAP2 4245/4885MAPT 1638/4885
US-20110315964-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER EPB41, USE1, EPB41L2 PARP1 1434/4885METAP2 4313/4885MAPT 1643/4885
US-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER EPB41, EPB41L2, AR PARP1 837/4885METAP2 4363/4885MAPT 1562/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.