SCHEMBL570824

SCHEMBL570824

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP2 O75604 1/20 0.39
MAOB P27338 5/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MAOA P21397 4/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL570825 1.00 CYP3A4 (0.41) CYP3A4HPGDCYP1A2CYP2C19HSD17B10
SCHEMBL571130 0.89 GPR35 (0.41) CYP3A4HPGDMAOBMAPTALDH1A1
SCHEMBL15166658 0.89 GPR35 (0.41) CYP3A4HPGDMAOBMAPTALDH1A1
SCHEMBL570599 0.86 MAOB (0.44) HPGDHSD17B10MAOBMAPTALDH1A1
SCHEMBL570888 0.86 MAOB (0.39) HPGDHSD17B10MAOBMAPTALDH1A1
SCHEMBL15166677 0.86 MAOB (0.44) HPGDHSD17B10MAOBMAPTALDH1A1
SCHEMBL570890 0.86 MAOB (0.39) HPGDHSD17B10MAOBMAPTALDH1A1
SCHEMBL570973 0.86 MAOB (0.39) MAOBMAPTCA1CA2CYP1B1
SCHEMBL570975 0.86 MAOB (0.39) MAOBMAPTCA1CA2CYP1B1
SCHEMBL15166651 0.84 CYP3A4 (0.43) CYP3A4HPGDCYP1A2CYP2C19HSD17B10

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 7 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
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
US-20130210909-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-08-15 US disclosed
EP-2601183-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS Council Of Scientific & Industrial Research (IN) 2013-06-12 EP disclosed
WO-2012017454-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-02-09 WO 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 CYP3A4 238/4885HPGD 558/4885CYP1A2 658/4885

“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.