SCHEMBL10061381

SCHEMBL10061381

COC(=O)/C=C/c1ccc(C)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TYR P14679 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL3883365 0.83 FDPS (0.49) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3886226 0.83 FDPS (0.49) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL6282703 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL5613528 0.79 CA1 (0.46) KDM4EMAPTCYP2C9CYP2C19CA12
SCHEMBL19913000 0.79 CA1 (0.46) KDM4EMAPTCYP2C9CYP2C19CA12
SCHEMBL14926718 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL14977959 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL28930130 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL5542490 0.77 MAPT (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL6505316 0.77 MAPT (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221834-B2 Cyclic amine substituted oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-8450517-B2 Photosensitive compound and its photosensitive polymer JNC CORPORATION (JP) 2013-05-28 US disclosed
US-20120165491-A1 PHOTOSENSITIVE COMPOUND AND ITS PHOTOSENSITIVE POLYMER CHISSO PETROCHEMICAL CORPORATION (JP) 2012-06-28 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 (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-20120165491-A1 PHOTOSENSITIVE COMPOUND AND ITS PHOTOSENSITIVE POLYMER CCNT1, CCNA1, PYM1 ALDH1A1 1227/4885KDM4E 1937/4885MAPT 530/4885

“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.