SCHEMBL187180

SCHEMBL187180

Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)[nH]c2C=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.38
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
PTAFR P25105 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
BIRC5 O15392 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
TNKS O95271 4/20 0.33
TNKS2 Q9H2K2 3/20 0.33

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
SCHEMBL186384 0.89 MEN1 (0.41) GCGRMAPTGAAALDH1A1KMT2A
SCHEMBL186808 0.87 GCGR (0.43) GCGRMAPTTSHRALDH1A1KMT2A
SCHEMBL186253 0.83 GCGR (0.47) GCGRMAPTALDH1A1KMT2AMITF
SCHEMBL186558 0.78 MEN1 (0.38) GCGRMAPTGAAALDH1A1KMT2A
SCHEMBL10065681 0.78 GCGR (0.38) GCGRMAPTGAAPTAFRTSHR
SCHEMBL186020 0.77 MAPT (0.42) MAPTGAAALDH1A1KMT2ATP53
SCHEMBL10065680 0.71 TSHR (0.40) GCGRMAPTGAAPTAFRTSHR
SCHEMBL186163 0.69 TSHR (0.40) GCGRMAPTGAAPTAFRTSHR
SCHEMBL24791091 0.67 GCGR (0.40) GCGRMAPTTSHRALDH1A1KMT2A
SCHEMBL23340960 0.67 GCGR (0.40) GCGRALDH1A1KMT2AMITFTP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778510-B2 Pyrromethene-boron complex compounds and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-15 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
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-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME MITSUI CHEMICALS, INC. 2012-02-16 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
EP-2402351-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-01-04 EP 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 (1 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-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME LEF1, ZRANB2, AFF1 GCGR 2138/4885MAPT 3373/4885GAA 3660/4885

“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.