SCHEMBL1200995

SCHEMBL1200995

CCC(=O)Oc1ccccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.54
SRC P12931 2/20 0.49
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ELANE P08246 1/20 0.45
TLR2 O60603 1/20 0.44
ERN1 O75460 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
MEN1 O00255 3/20 0.43
THRB P10828 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
SCHEMBL27681606 0.86 ERN1 (0.60) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL1201154 0.86 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL1397183 0.86 ALOX15 (0.44) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL10738625 0.84 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL8435546 0.84 ALOX15 (0.55) ALDH1A1HPGDSMN1; SMN2KMT2AELANE
SCHEMBL4642180 0.83 ALDH1A1 (0.57) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL20143639 0.83 KMT2A (0.63) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL27871843 0.82 PTGDR2 (0.42) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL1665860 0.82 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL22919376 0.82 ELANE (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4192868-A ANTIINFLAMMATORY, ANALGESIC CIBA-GEIGY CORPORATION (US) 1980-03-11 US claimed
US-9969773-B2 Polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2018-05-15 US disclosed
US-20150299254-A1 NOVEL POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME NEW YORK UNIVERSITY 2015-10-22 US disclosed
EP-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
CN-101679171-B Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2012-12-12 CN 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
CN-101679171-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
EP-2154123-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-17 EP disclosed
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed
US-4192868-A ANTIINFLAMMATORY, ANALGESIC CIBA-GEIGY CORPORATION (US) 1980-03-11 US 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 (3 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-20150299254-A1 NOVEL POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME PAICS, F12, CYP2C19 ALDH1A1 829/4885HPGD 106/4885HTT 3568/4885
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 ALDH1A1 94/4885HPGD 564/4885HTT 2486/4885
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 ALDH1A1 129/4885HPGD 1408/4885HTT 3186/4885

“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.