SCHEMBL257802

SCHEMBL257802

Cc1ccc(Oc2cccc(C(C)C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
PTGS1 P23219 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TEAD4 Q15561 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
MITF O75030 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NOD2 Q9HC29 1/20 0.47
CYP2D6 P10635 1/20 0.46
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 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
SCHEMBL123764 0.92 PTGS1 (0.58) ALDH1A1PTGS1TDP1HTTSMN1; SMN2
SCHEMBL8636829 0.89 PTGS1 (0.54) ALDH1A1PTGS1SMN1; SMN2MEN1KMT2A
SCHEMBL30345552 0.88 PTGS1 (0.56) ALDH1A1PTGS1TDP1HTTSMN1; SMN2
SCHEMBL11063307 0.88 PTGS1 (0.56) ALDH1A1PTGS1TDP1HTTSMN1; SMN2
SCHEMBL13183668 0.87 ALDH1A1 (0.59) ALDH1A1PTGS1TDP1HTTL3MBTL1
SCHEMBL765113 0.86 PTGS1 (0.66) ALDH1A1PTGS1SMN1; SMN2MEN1KMT2A
SCHEMBL30358257 0.86 PTGS1 (0.66) ALDH1A1PTGS1SMN1; SMN2MEN1KMT2A
SCHEMBL15849013 0.86 PTGS1 (0.55) ALDH1A1PTGS1TDP1HTTSMN1; SMN2
SCHEMBL14020499 0.85 SMN1; SMN2 (0.58) ALDH1A1PTGS1HTTSMN1; SMN2MEN1
SCHEMBL12260873 0.84 PTGS1 (0.50) ALDH1A1PTGS1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
WO-2020216071-A1 DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR 上海仕谱生物科技有限公司 2020-10-29 WO disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20120160317-A1 POLYIMIDE POLYMER SOLUTION, POLYIMIDE POLYMER, TRANSPARENT FILM, DISPLAYING DEVICE AND SOLAR CELL INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-06-28 US disclosed
EP-2399585-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 ALDH1A1 779/4885PTGS1 2958/4885TDP1 4266/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 ALDH1A1 779/4885PTGS1 2958/4885TDP1 4266/4885

“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.