SCHEMBL570577

SCHEMBL570577

CCC(C)c1cc(C=O)cc(C=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.40
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.36
RORC P51449 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TYR P14679 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
SCHEMBL4078873 0.90 TSHR (0.42) TSHRKDM4ERORCALDH1A1
SCHEMBL310746 0.83 ERN1 (0.58) ERN1TSHRRORCTYR
SCHEMBL16910534 0.80 ALDH1A1 (0.45) ERN1TSHRKDM4EALDH1A1
SCHEMBL570511 0.78 MAPT (0.46) ALDH1A1
SCHEMBL570512 0.78 MAPT (0.46) ALDH1A1
SCHEMBL570725 0.77 MAPT (0.48) KDM4EALDH1A1
SCHEMBL571064 0.77 MAPT (0.48) KDM4EALDH1A1
SCHEMBL15166639 0.76 MAOB (0.48)
SCHEMBL15166640 0.76 MAOB (0.48)
SCHEMBL7245766 0.76 ALDH1A1 (0.56) TSHRKDM4ERORCALDH1A1TYR

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 4 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 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 ERN1 1438/4885TSHR 4656/4885KDM4E 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.