SCHEMBL791844

SCHEMBL791844

COCc1cccc(-c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.66
ERN1 O75460 1/20 0.50
NR4A2 P43354 1/20 0.49
NAAA Q02083 2/20 0.46
FFAR1 O14842 2/20 0.46
AKR1B1 P15121 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP12 P39900 2/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
MMP9 P14780 1/20 0.44
PRMT3 O60678 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
BCL2 P10415 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL1338691 0.94 AGXT (0.55) AGXTERN1NR4A2
SCHEMBL29644212 0.94 AGXT (0.55) AGXTERN1NR4A2
SCHEMBL30308942 0.90 AGXT (0.53) AGXTERN1FFAR1AKR1B1FFAR4
SCHEMBL1338378 0.90 AGXT (0.53) AGXTERN1FFAR1AKR1B1FFAR4
SCHEMBL17258605 0.85 GRIN2D (0.47) AGXTERN1
SCHEMBL7139498 0.85 AGXT (0.53) AGXTERN1
SCHEMBL7265564 0.85 ERN1 (0.49) AGXTERN1NR4A2NAAAFFAR1
SCHEMBL19567996 0.85 BCL2 (0.50) AGXTERN1FFAR1AKR1B1FFAR4
SCHEMBL18885245 0.85 PRKCI (0.61) AGXTERN1PRMT6
SCHEMBL18544647 0.84 PRKCI (0.55) AGXTERN1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024071860-A1 INK COMPOSITION, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2024-04-04 WO disclosed
WO-2024063595-A1 INK COMPOSITION, ORGANIC MATERIAL LAYER COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-03-28 WO disclosed
WO-2024063596-A1 INK COMPOSITION, ORGANIC MATERIAL LAYER COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-03-28 WO disclosed
US-20210351364-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE SK MATERIALS JNC CO., LTD. (KR) 2021-11-11 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
CN-102337005-A Resin composition, method of its composition, and cured formulation NIPPON CATALYTIC CHEM IND 2012-02-01 CN disclosed
CN-101831142-B Resin composition, preparation method thereof, and cured formulation NIPPON SHOKUBAI CO.,LTD. (JP) 2012-02-01 CN disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
CN-100339360-C Process for producing aromatic nitrile compound IHARA CHEMICAL IND CO (JP) 2007-09-26 CN disclosed
US-7262316-B2 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-28 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070004934-A1 Process for producing aromatic aldehyde IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-01-04 US disclosed
CN-1819984-A Method for producing aromatic aldehyde IHARA CHEMICAL IND CO (JP) 2006-08-16 CN disclosed
EP-1661877-A1 PROCESS FOR PRODUCING AROMATIC ALDEHYDE Ihara Chemical Industry Co., Ltd. (JP) 2006-05-31 EP disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 US disclosed
CN-1714074-A Method for producing aromatic nitrile compound IHARA CHEMICAL IND CO (JP) 2005-12-28 CN disclosed
EP-1555257-A1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-07-20 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 (5 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 AGXT 584/4885ERN1 1032/4885NR4A2 3195/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI AGXT 803/4885ERN1 887/4885NR4A2 3955/4885
US-20060069282-A1 Process for producing aromatic nitrile compound ODC1, ALKBH3, GNMT AGXT 74/4885ERN1 885/4885NR4A2 1223/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 AGXT 584/4885ERN1 1032/4885NR4A2 3195/4885
US-20070004934-A1 Process for producing aromatic aldehyde ALKBH3, AOX1, ALDH3A1 AGXT 443/4885ERN1 722/4885NR4A2 1000/4885

“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.