SCHEMBL2877622

SCHEMBL2877622

CCc1cc(C)nc2c(O)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
PARP1 P09874 3/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
METAP2 P50579 1/20 0.47
CCR6 P51684 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
OPRK1 P41145 1/20 0.42
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL30587191 1.00 KDM4E (0.47) KDM4EPARP1KMT2ACYP1A2MEN1
SCHEMBL8024297 0.98 KDM4E (0.46) KDM4EPARP1KMT2ACYP1A2MEN1
SCHEMBL8072010 0.98 KDM4E (0.46) KDM4EPARP1KMT2ACYP1A2MEN1
SCHEMBL27527696 0.98 KDM4E (0.46) KDM4EPARP1KMT2ACYP1A2MEN1
SCHEMBL6640320 0.88 KMT2A (0.57) KDM4EPARP1KMT2ACYP1A2MEN1
SCHEMBL11545600 0.83 TP53 (0.51) KDM4EPARP1KMT2AMEN1LMNA
SCHEMBL6639396 0.83 KDM4E (0.52) KDM4EPARP1KMT2ACYP1A2MEN1
SCHEMBL11570729 0.80 NR4A2 (0.61) KDM4EPARP1MAPTTDP1NR4A2
SCHEMBL11640173 0.80 KDM4E (0.65) KDM4EPARP1KMT2AMEN1LMNA
SCHEMBL30503376 0.80 CD38 (0.48) KDM4ECYP1A2TSHRNR4A2CD38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709102-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2010-05-04 US claimed
US-9714237-B2 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-07-25 US disclosed
US-20160035985-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-02-04 US disclosed
US-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
CN-1168667-A Pyridopyrimidones, quinolines and fused N-heretocycles as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO 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 (2 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-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT NR2E1, AR, ELP1 KDM4E 1635/4885PARP1 566/4885KMT2A 1184/4885
US-20160035985-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME BMI1, PRDM9, OR10J3 KDM4E 686/4885PARP1 2447/4885KMT2A 848/4885

“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.