SCHEMBL1201192

SCHEMBL1201192

O=Cc1ccccc1OC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.56
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 1/20 0.52
SRC P12931 2/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PAM P19021 1/20 0.47
CYP19A1 P11511 1/20 0.46
UCHL1 P09936 1/20 0.44
USP5 P45974 1/20 0.44
USP4 Q13107 1/20 0.44
SENP1 Q9P0U3 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
SCHEMBL10573912 0.85 MAPK1 (0.61) MAPK1ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL4642180 0.84 ALDH1A1 (0.57) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1813044 0.81 ALDH1A1 (0.50) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL554848 0.79 ALDH1A1 (0.55) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL4641968 0.79 ALDH1A1 (0.55) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL8041341 0.79 ALDH1A1 (0.55) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1200995 0.79 ALDH1A1 (0.55) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL4644461 0.79 ALDH1A1 (0.55) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL3290432 0.78 HSD17B10 (0.56) MAPK1ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL29445574 0.77 PTGDR2 (0.61) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 EP disclosed
US-7851659-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
EP-2154123-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-17 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 (2 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-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 PTGDR2 1664/4885MAPK1 3973/4885ALDH1A1 94/4885
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 PTGDR2 3941/4885MAPK1 2037/4885ALDH1A1 129/4885

“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.