SCHEMBL13077610

SCHEMBL13077610

C[C@@H](NC/C=C/C(C)(C)C(=O)O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 4/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ METAP2 P50579 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ SSTR4 P31391 1/20 0.40

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
SCHEMBL13077638 1.00 CASR (0.45) CASREPHX2HDAC3CYP2C9HDAC1
SCHEMBL13077637 0.87 EPHX2 (0.42) CASREPHX2HDAC3CYP2C9HDAC1
SCHEMBL13078026 0.87 EPHX2 (0.47) CASREPHX2LMNAGAAMETAP2
SCHEMBL13077608 0.86 ALDH1A1 (0.46) CASREPHX2HDAC3CYP2C9HDAC1
SCHEMBL13077645 0.85 CASP1 (0.43) CASREPHX2HDAC3CYP2C9HDAC1
SCHEMBL13077930 0.85 CASP1 (0.43) CASREPHX2HDAC3CYP2C9HDAC1
SCHEMBL13077643 0.85 CASR (0.45) CASRHDAC3CYP2C9HDAC1HDAC6
SCHEMBL13077604 0.85 CASR (0.45) CASRHDAC3CYP2C9HDAC1HDAC6
SCHEMBL13077576 0.84 CASR (0.47) CASRHDAC3CYP2C9HDAC1HDAC6
SCHEMBL13077575 0.84 CASR (0.47) CASRHDAC3CYP2C9HDAC1HDAC6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 — — 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R CASR 5/4885EPHX2 1436/4885HDAC3 354/4885

“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.

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