SCHEMBL2292785

SCHEMBL2292785

Cc1ccccc1OCc1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
FFAR4 Q5NUL3 1/20 0.55
IDO1 P14902 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 1/20 0.44
NISCH Q9Y2I1 1/20 0.44

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
SCHEMBL30342568 1.00 ALDH1A1 (0.57) ALDH1A1FFAR4IDO1NPC1RAB9A
SCHEMBL18171756 0.86 ALDH1A1 (0.66) ALDH1A1FFAR4IDO1NPC1RAB9A
SCHEMBL22138645 0.86 CDK4 (0.53) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3521430 0.84 CDK4 (0.60) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2290442 0.83 FFAR4 (0.50) ALDH1A1FFAR4IDO1NPC1RAB9A
SCHEMBL2288552 0.83 FFAR4 (0.60) ALDH1A1FFAR4IDO1NPC1RAB9A
SCHEMBL30023195 0.83 FFAR4 (0.60) ALDH1A1FFAR4IDO1NPC1RAB9A
SCHEMBL30000324 0.83 FFAR4 (0.50) ALDH1A1FFAR4IDO1NPC1RAB9A
Bromide SCHEMBL27650271 0.82 CDK4 (0.58) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2290933 0.81 IDO1 (0.50) ALDH1A1FFAR4IDO1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409206-A Preparation method of kresoxim-methyl 新发药业有限公司 2021-02-26 CN disclosed
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 EP disclosed
US-6177459-B1 WELL TOLERATED BY PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2001-01-23 US disclosed
EP-0741693-B1 PROCESS FOR THE PREPARATION OF ARYLACETIC ESTER DERIVATIVES VIA PALLADIUM-CATALYZED CROSS COUPLING REACTION NOVARTIS AG (CH) 1999-03-24 EP disclosed
EP-0712835-B1 Process for the preparation of alpha-ketocarbonic acid esters BASF AG (DE) 1997-08-20 EP disclosed
EP-0741693-A1 PROCESS FOR THE PREPARATION OF ARYLACETIC ESTER DERIVATIVES VIA PALLADIUM-CATALYZED CROSS COUPLING REACTION Novartis AG (CH) 1996-11-13 EP disclosed
US-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
EP-0493711-B1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF AG (DE) 1996-09-25 EP disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
EP-0712835-A2 Process for the preparation of alpha-ketocarbonic acid esters BASF AKTIENGESELLSCHAFT (DE) 1996-05-22 EP disclosed
EP-0525516-B1 Derivatives of beta substituted cinnomic acid BASF AG (DE) 1995-09-27 EP disclosed
WO-1995020569-A1 PROCESS FOR THE PREPARATION OF ARYLACETIC ESTER DERIVATIVES VIA PALLADIUM-CATALYZED CROSS COUPLING REACTION CIBA-GEIGY AG (CH) 1995-08-03 WO disclosed
US-5221762-A Reacting a phenol with benzolactone compound; then phosgene or thionyl chloride; esterification with alcohol BASF AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
EP-0525516-A2 Derivatives of beta substituted cinnomic acid BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed
EP-0493711-A1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF Aktiengesellschaft (DE) 1992-07-08 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 (1 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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 ALDH1A1 83/4885FFAR4 3092/4885IDO1 778/4885

“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.