SCHEMBL2292794

SCHEMBL2292794

Cc1cccc(C)c1OCc1cc(Oc2ccc(F)cc2)ccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PPARG P37231 2/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 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
SCHEMBL1201118 0.90 CDK4 (0.41) PTGER1PTGER4PTGER3PTGER2MAOA
SCHEMBL2287699 0.89 ALDH1A1 (0.43) SCN8APPARGALDH1A1L3MBTL1NPC1
SCHEMBL1199640 0.88 MAPT (0.37) SCN8APTGER1PTGER4PTGER3PTGER2
SCHEMBL2294471 0.87 ALDH1A1 (0.42) SCN8APTGER1PTGER4PTGER3PTGER2
SCHEMBL2288078 0.86 FFAR1 (0.42) PPARGALDH1A1CDK4CCND1CCNB2
SCHEMBL2293617 0.83 TRIM24 (0.49) SCN8AALDH1A1NPC1RAB9ACDK4
SCHEMBL2289750 0.82 CCNB2 (0.40) MAOAMAOBALDH1A1L3MBTL1CDK4
SCHEMBL1201385 0.81 SCN8A (0.46) SCN8APTGER4MAOBPPARGALDH1A1
SCHEMBL2292473 0.81 SCN8A (0.39) SCN8APTGER1PTGER4PTGER3PTGER2
SCHEMBL2295498 0.81 NPSR1 (0.36) MAOAMAOBPPARGALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN 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
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 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 SCN8A 1991/4885PTGER1 2133/4885PTGER4 1022/4885

“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.