SCHEMBL4877065

SCHEMBL4877065

Cc1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP2A6 P11509 1/20 0.48
CYP11B2 P19099 4/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CYP11B1 P15538 2/20 0.47
TSHR P16473 2/20 0.46
KIF11 P52732 1/20 0.44
MMP3 P08254 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
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
SCHEMBL23655191 0.98 AR (0.49) ARALDH1A1CYP2A6CYP11B2CA12
SCHEMBL31463164 0.84 TSHR (0.57) ALDH1A1CYP2A6CYP11B2CA12CA1
SCHEMBL10304744 0.84 ALDH1A1 (0.45) ARALDH1A1CYP2A6CYP11B2CYP11B1
SCHEMBL23625616 0.82 AR (0.44) ARALDH1A1CYP2A6CYP11B2CYP11B1
SCHEMBL20407070 0.82 PGR (0.49) ARALDH1A1MAOB
SCHEMBL3633054 0.82 CA12 (0.61) ARALDH1A1CA12CA1CA2
SCHEMBL29551674 0.82 CA12 (0.61) ARALDH1A1CA12CA1CA2
SCHEMBL20405268 0.82 ESR2 (0.63) ARALDH1A1CA12CA1CA2
SCHEMBL18406713 0.82 AR (0.49) ARALDH1A1CYP11B2CA12CA1
SCHEMBL24451136 0.81 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP11B2TSHRKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 US disclosed
US-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230210000-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND LIGHT EMITTING DEVICE KYULUX, INC. (JP) 2023-06-29 US disclosed
US-20220407017-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device as well as Organic Compounds for Use in Organic Electronic Devices NOVALED GMBH (DE) 2022-12-22 US disclosed
US-20220165958-A1 Compound and an Organic Semiconducting Layer, an Organic Electronic Device, a Display Device and a Lighting Device Comprising the Same NOVALED GMBH (DE) 2022-05-26 US disclosed
US-20220069230-A1 Compound and Organic Electronic Device Comprising the Same NOVALED GMBH (DE) 2022-03-03 US disclosed
US-20210367157-A1 Compound and Organic Semiconducting Layer, Organic Electronic Device, Display Device and Lighting Device Comprising the Same NOVALED GMBH (DE) 2021-11-25 US disclosed
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2021-11-11 US disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
EP-1306131-A2 Cross-Coupling catalyst comprising a cyclic nitrogen ligand and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-02 EP disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
EP-1102738-B1 METHOD FOR THE ACIDIC OR ALKALINE SAPONIFICATION OF BIPHENYL NITRILES LEHMANN BERND DR (DE) 2002-12-04 EP disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed
EP-1102738-A1 METHOD FOR THE ACIDIC OR ALKALINE SAPONIFICATION OF BIPHENYL NITRILES Great Lakes Chemical Konstanz GmbH (DE) 2001-05-30 EP disclosed
US-6121480-A LOW SPEED PALLADIUM-CATALYZED COUPLING OF ARYL GRIGNARD REAGENT WITH BROMOBENZONITRILE GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 2000-09-19 US disclosed
WO-2000003964-A1 METHOD FOR THE ACIDIC OR ALKALINE SAPONIFICATION OF BIPHENYL NITRILES GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 2000-01-27 WO disclosed
EP-0883603-A1 METHOD FOR PRODUCING UNSYMMETRICALLY SUBSTITUTED BIPHENYLS Great Lakes Chemical Konstanz GmbH (DE) 1998-12-16 EP disclosed
WO-1997030970-A1 METHOD FOR PRODUCING UNSYMMETRICALLY SUBSTITUTED BIPHENYLS GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 1997-08-28 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 (9 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-20220407017-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device as well as Organic Compounds for Use in Organic Electronic Devices AOX1, OR10J3, CYP2E1 AR 2304/4885ALDH1A1 21/4885CYP2A6 78/4885
US-20220165958-A1 Compound and an Organic Semiconducting Layer, an Organic Electronic Device, a Display Device and a Lighting Device Comprising the Same OCIAD1, AOX1, OCIAD2 AR 3013/4885ALDH1A1 18/4885CYP2A6 360/4885
US-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, ESR1, EPCAM AR 1215/4885ALDH1A1 496/4885CYP2A6 660/4885
US-20230210000-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND LIGHT EMITTING DEVICE DRD1, DRD2, DRD3 AR 295/4885ALDH1A1 812/4885CYP2A6 1926/4885
US-20220069230-A1 Compound and Organic Electronic Device Comprising the Same ESR1, ESRRA, RER1 AR 4/4885ALDH1A1 59/4885CYP2A6 739/4885
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME BLVRB, CDYL, CRY1 AR 2590/4885ALDH1A1 689/4885CYP2A6 424/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 AR 2590/4885ALDH1A1 689/4885CYP2A6 424/4885
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF FABP5, FABP1, FABP4 AR 1089/4885ALDH1A1 2048/4885CYP2A6 641/4885
US-20210367157-A1 Compound and Organic Semiconducting Layer, Organic Electronic Device, Display Device and Lighting Device Comprising the Same OCIAD1, OCIAD2, AOX1 AR 4088/4885ALDH1A1 41/4885CYP2A6 392/4885

“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.