SCHEMBL570890

SCHEMBL570890

CCC(C)c1cc(C=CC(=O)c2ccc(C)cc2)cc2cc(C(=O)NC)c(=O)oc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MAOA P21397 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP1B1 Q16678 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A1 P04798 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL570888 1.00 MAOB (0.39) MAOBHSD17B10KDM4EALDH1A1MAPT
SCHEMBL570975 0.92 MAOB (0.39) MAOBMAPTMAOACA1CA2
SCHEMBL570973 0.92 MAOB (0.39) MAOBMAPTMAOACA1CA2
SCHEMBL15166658 0.90 GPR35 (0.41) MAOBALDH1A1MAPTMAOACA1
SCHEMBL571130 0.90 GPR35 (0.41) MAOBALDH1A1MAPTMAOACA1
SCHEMBL15166677 0.87 MAOB (0.44) MAOBHSD17B10KDM4EALDH1A1MAPT
SCHEMBL570599 0.87 MAOB (0.44) MAOBHSD17B10KDM4EALDH1A1MAPT
SCHEMBL570824 0.86 CYP3A4 (0.41) MAOBHSD17B10ALDH1A1MAPTMAOA
SCHEMBL570825 0.86 CYP3A4 (0.41) MAOBHSD17B10ALDH1A1MAPTMAOA
SCHEMBL12504932 0.81 DHODH (0.44) MAOBHSD17B10KDM4EALDH1A1MAPT

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-8815940-B2 Coumarin-chalcones as anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-26 US claimed
US-20130210909-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-08-15 US claimed
EP-2601183-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS Council Of Scientific & Industrial Research (IN) 2013-06-12 EP claimed
WO-2012017454-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-02-09 WO claimed
US-8815940-B2 Coumarin-chalcones as anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-26 US disclosed
US-20130210909-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-08-15 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-20130210909-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS HCCS, XPO5, CIAPIN1 MAOB 4231/4885HSD17B10 131/4885KDM4E 1643/4885

“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.