SCHEMBL2212092

SCHEMBL2212092

Nc1ccc(C=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.59
CYP11B2 P19099 2/20 0.59
ESR1 P03372 2/20 0.55
PTGS2 P35354 5/20 0.55
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
ESR2 Q92731 1/20 0.50
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CYP1B1 Q16678 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL28143022 0.94 CYP19A1 (0.53) CYP19A1CYP11B2ESR1PTGS2MAOA
SCHEMBL5338783 0.94 ESR1 (0.64) CYP19A1CYP11B2ESR1PTGS2MAOA
SCHEMBL2786938 0.94 ESR1 (0.64) CYP19A1CYP11B2ESR1PTGS2MAOA
SCHEMBL26867242 0.89 PTGS2 (0.63) CYP19A1CYP11B2ESR1PTGS2ESR2
SCHEMBL29195200 0.89 PTGS2 (0.63) CYP19A1CYP11B2ESR1PTGS2ESR2
SCHEMBL2121142 0.89 CYP19A1 (0.71) CYP19A1CYP11B2ESR1PTGS2ESR2
SCHEMBL28001314 0.88 ESR1 (0.58) CYP19A1CYP11B2ESR1PTGS2MAOA
SCHEMBL28001312 0.88 ESR1 (0.58) CYP19A1CYP11B2ESR1PTGS2MAOA
SCHEMBL15906333 0.85 PTGS2 (0.46) CYP19A1CYP11B2ESR1PTGS2MAOA
SCHEMBL27747309 0.84 LOXL2 (0.50) CYP19A1CYP11B2ESR1PTGS2MAOA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1195422-B1 THIN FILM EL DEVICE PANASONIC CORP (JP) 2011-07-27 EP claimed
US-9893292-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-9871213-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-9403849-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2016-08-02 US disclosed
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-9082995-B2 Organic EL element and organic EL material-containing solution IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 US disclosed
US-8852756-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8679645-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2014-03-25 US disclosed
US-8674141-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
US-8426036-B2 Organic EL device and anthracene derivative IDEMITSU KOSAN CO., LTD. (JP) 2013-04-23 US disclosed
US-20100270539-A1 ORGANIC EL ELEMENT AND ORGANIC EL MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO., LTD. (JP) 2010-10-28 US disclosed
US-20100207110-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO. LTD (JP) 2010-08-19 US disclosed
US-20100187517-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100171109-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-07-08 US disclosed
US-20100044689-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 US disclosed
US-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2009-05-28 US disclosed
US-20090128009-A1 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2009-05-21 US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080166593-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080145708-A1 Compounds For Organic Electronic Devices MERCK PATENT GMBH (DE) 2008-06-19 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 (6 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-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 CYP19A1 2770/4885CYP11B2 2081/4885ESR1 292/4885
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices TYR, DDT, PAH CYP19A1 223/4885CYP11B2 185/4885ESR1 815/4885
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 CYP19A1 2770/4885CYP11B2 2081/4885ESR1 292/4885
US-20080145708-A1 Compounds For Organic Electronic Devices TYR, TOE1, GPX1 CYP19A1 504/4885CYP11B2 1171/4885ESR1 50/4885
US-20080166593-A1 Organic Electroluminescent Devices OR10J3, DDT, EML4 CYP19A1 1679/4885CYP11B2 1220/4885ESR1 152/4885
US-20090128009-A1 Materials for organic electroluminescence devices OR10J3, TYR, EML4 CYP19A1 2461/4885CYP11B2 2552/4885ESR1 68/4885

“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.