SCHEMBL13077652

SCHEMBL13077652

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.45
▸ CASR P41180 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ GPR139 Q6DWJ6 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ SSTR4 P31391 1/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ MLNR O43193 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL13077953 0.91 EPHX2 (0.44) EPHX2CASRLMNAGAAGPR139
SCHEMBL13040826 0.86 EPHX2 (0.38) EPHX2CASRLMNAGAAGPR139
SCHEMBL13040833 0.84 EPHX2 (0.38) EPHX2CASRLMNAGAAGPR139
SCHEMBL13078016 0.83 EPHX2 (0.44) EPHX2CASRLMNAGAAHDAC3
SCHEMBL13077962 0.81 EPHX2 (0.49) EPHX2CASRLMNAGAAHDAC3
SCHEMBL13077564 0.80 LMNA (0.46) EPHX2CASRLMNAGAAHDAC3
SCHEMBL13077814 0.80 EPHX2 (0.46) EPHX2CASRLMNAGAAHDAC3
SCHEMBL13077610 0.79 CASR (0.45) EPHX2CASRLMNAGAAHDAC3
SCHEMBL13077638 0.79 CASR (0.45) EPHX2CASRLMNAGAAHDAC3
SCHEMBL13077941 0.79 CASR (0.48) EPHX2CASRLMNAGAAADRA2C

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 EPHX2 1436/4885CASR 5/4885LMNA 1781/4885

“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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