SCHEMBL2085035

SCHEMBL2085035

C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
CYP11B2 P19099 2/20 0.44
PTGS2 P35354 5/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
APP P05067 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL12774521 0.98 CYP19A1 (0.42) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL9971838 0.98 CYP19A1 (0.42) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL9971759 0.97 CYP19A1 (0.44) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL2211757 0.94 PTGS2 (0.41) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL13027920 0.93 CYP19A1 (0.39) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL2213422 0.90 ALOX5 (0.40) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL2214751 0.90 ALDH1A1 (0.39) CYP19A1CYP11B2PTGS2ESR1ALDH1A1
SCHEMBL13511074 0.90 CYP19A1 (0.36) CYP19A1CYP11B2PTGS2ESR1ALDH1A1
SCHEMBL9971845 0.89 CYP19A1 (0.38) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL6140178 0.89 CYP19A1 (0.50) CYP19A1CYP11B2PTGS2ESR1ESR2

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 15 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-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
US-20050214565-A1 Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2005-09-29 US disclosed
EP-1496041-A1 NOVEL AROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCNET ELEMENT CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-01-12 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 (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 CYP19A1 519/4885CYP11B2 2385/4885PTGS2 1623/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 CYP19A1 309/4885CYP11B2 958/4885PTGS2 824/4885
US-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same TYR, EML4, TCF7L2 CYP19A1 299/4885CYP11B2 1638/4885PTGS2 4662/4885

“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.