SCHEMBL9890960

SCHEMBL9890960

C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP19A1 P11511 2/20 0.41
CYP11B2 P19099 2/20 0.41
PTPN1 P18031 2/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 4/20 0.39
HDAC4 P56524 1/20 0.39
ESR1 P03372 2/20 0.38
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ESR2 Q92731 1/20 0.34
MAPT P10636 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL12774537 0.99 KDM4E (0.45) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL10128529 0.93 KDM4E (0.50) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL12774519 0.92 KDM4E (0.45) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL12774549 0.91 KDM4E (0.44) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL13513198 0.89 ATM (0.40) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL19831919 0.89 KDM4E (0.49) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL76484 0.85 CYP19A1 (0.53) KDM4ECYP19A1CYP11B2PTGS2ESR1
SCHEMBL29416717 0.85 CYP19A1 (0.53) KDM4ECYP19A1CYP11B2PTGS2ESR1
SCHEMBL4826058 0.83 CYP19A1 (0.52) KDM4ECYP19A1CYP11B2KMT2APTGS2
SCHEMBL13168405 0.83 KDM4E (0.37) KDM4EATML3MBTL1CYP19A1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 US disclosed
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 US disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 US disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 US disclosed
US-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-03-03 US disclosed
US-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-03-03 US disclosed
US-7790892-B2 Aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-09-07 US disclosed
US-7790892-B2 Aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-09-07 US disclosed
US-7651787-B2 Organic electroluminescent device LG DISPLAY CO., LTD. (KR) 2010-01-26 US disclosed
US-7651787-B2 Organic electroluminescent device LG DISPLAY CO., LTD. (KR) 2010-01-26 US disclosed
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 US disclosed
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 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 (3 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-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE CRY1, MMS19, CRY2 KDM4E 3391/4885ATM 600/4885L3MBTL1 167/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 KDM4E 3893/4885ATM 1395/4885L3MBTL1 530/4885
US-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same TYR, EML4, TCF7L2 KDM4E 605/4885ATM 891/4885L3MBTL1 841/4885

“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.