SCHEMBL570997

SCHEMBL570997

CCC(C)c1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc2cc(C(=O)OC)c(=O)oc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.42
MAOA P21397 4/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CXCL12 P48061 2/20 0.39
CXCR4 P61073 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
PLIN1 O60240 1/20 0.36
RAB9A P51151 1/20 0.36
PLIN5 Q00G26 1/20 0.36
KMT2A Q03164 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
CYP1B1 Q16678 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
SCHEMBL570806 1.00 MAOB (0.42) MAOBMAOALMNAMAPTCXCL12
SCHEMBL571209 0.92 MAOB (0.48) MAOBMAOALMNAMAPTATM
SCHEMBL15166641 0.92 MAOB (0.48) MAOBMAOALMNAMAPTATM
SCHEMBL571213 0.91 ALDH1A1 (0.42) MAOBMAOALMNAMAPTATM
SCHEMBL15166647 0.91 ALDH1A1 (0.42) MAOBMAOALMNAMAPTATM
SCHEMBL12504932 0.90 DHODH (0.44) MAOBMAOALMNAMAPTCXCL12
SCHEMBL15166616 0.85 ABCG2 (0.45) LMNAMAPTSMN1; SMN2ABCG2KDM4E
SCHEMBL15166615 0.85 ABCG2 (0.45) LMNAMAPTSMN1; SMN2ABCG2KDM4E
SCHEMBL570599 0.85 MAOB (0.44) MAOBMAOALMNAMAPTKDM4E
SCHEMBL15166677 0.85 MAOB (0.44) MAOBMAOALMNAMAPTKDM4E

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 MAOB 4231/4885MAOA 4442/4885LMNA 2684/4885

“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.