SCHEMBL571064

SCHEMBL571064

CCC(C)c1cc(/C=C/C(=O)c2ccc(C)cc2)cc(C=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1B1 Q16678 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CXCL12 P48061 1/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL570725 1.00 MAPT (0.48) MAPTMAOBMAOAPOLBRAB9A
SCHEMBL15166640 0.90 MAOB (0.48) MAPTMAOBMAOACYP1B1LMNA
SCHEMBL15166639 0.90 MAOB (0.48) MAPTMAOBMAOACYP1B1LMNA
SCHEMBL570512 0.90 MAPT (0.46) MAPTMAOBMAOARAB9ACYP1B1
SCHEMBL570511 0.90 MAPT (0.46) MAPTMAOBMAOARAB9ACYP1B1
SCHEMBL12504894 0.81 ABCG2 (0.53) MAPTCYP1B1ALDH1A1KDM4ELMNA
SCHEMBL15166607 0.81 ABCG2 (0.53) MAPTCYP1B1ALDH1A1KDM4ELMNA
SCHEMBL570577 0.77 ERN1 (0.40) ALDH1A1KDM4E
SCHEMBL15166601 0.76 MAPT (0.52) MAPTMAOBMAOAPOLBRAB9A
SCHEMBL570958 0.76 MAPT (0.52) MAPTMAOBMAOAPOLBRAB9A

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-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 MAPT 3772/4885MAOB 4231/4885MAOA 4442/4885

“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.