SCHEMBL12857527

SCHEMBL12857527

CC1=NN(C(=O)c2ccccc2O)C(=O)C1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 9/20 0.53
▸ PTGS1 P23219 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TERT O14746 1/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13104005 0.70 CES2 (1.00) CES2L3MBTL1KDM4ERAB9A
SCHEMBL12857443 0.69 PTGS1 (1.00) PTGS1PTGS2L3MBTL1KDM4ERAB9A
SCHEMBL19499378 0.65 CES2 (0.89) CES2L3MBTL1KDM4ERAB9AMEN1
SCHEMBL4240299 0.65 CES2 (0.76) CES2L3MBTL1KDM4ERAB9AKMT2A
SCHEMBL4059748 0.65 CES2 (0.82) CES2L3MBTL1KDM4ERAB9A
SCHEMBL12857341 0.63 KAT8 (0.51) PTGS1PTGS2L3MBTL1KDM4ECYP2C19
SCHEMBL23607612 0.62 GAA (0.71) CES2L3MBTL1KDM4ERAB9AMEN1
Dihydrochalcone SCHEMBL29359372 0.59 CYP19A1 (0.80) KDM4ERAB9ATSHRTDP1
SCHEMBL4435666 0.59 KMT2A (0.72) CES2L3MBTL1KDM4EMEN1KMT2A
Dihydrochalcone SCHEMBL2827303 0.59 CYP19A1 (0.80) KDM4ERAB9ATSHRTDP1

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
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 — — US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 — — US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 — — US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 — — US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 — — US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 — — 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-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 CES2 4799/4885PTGS1 633/4885PTGS2 980/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 CES2 4799/4885PTGS1 633/4885PTGS2 980/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 CES2 4799/4885PTGS1 633/4885PTGS2 980/4885

“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.

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