SCHEMBL3290499

SCHEMBL3290499

O=C(O)C(=Cc1ccccc1)c1ccc(O)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 7/20 0.59
AKR1C3 P42330 11/20 0.50
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
AKR1C2 P52895 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
PTGS2 P35354 1/20 0.43
ESR2 Q92731 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 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
SCHEMBL3290496 1.00 AKR1C1 (0.59) AKR1C1AKR1C3ALDH1A1HTTAKR1C2
SCHEMBL20184151 0.78 AKR1C1 (0.75) AKR1C1AKR1C3ALDH1A1HTTAKR1C2
SCHEMBL7814861 0.78 AKR1C1 (0.75) AKR1C1AKR1C3ALDH1A1HTTAKR1C2
SCHEMBL2524591 0.78 HTT (0.58) AKR1C1AKR1C3ALDH1A1HTTAKR1C2
SCHEMBL1225004 0.78 AKR1C1 (0.72) AKR1C1AKR1C3ALDH1A1HTTAKR1C2
SCHEMBL14591173 0.76 AKR1C1 (0.78) AKR1C1AKR1C3ALDH1A1HTTAKR1C2
SCHEMBL1981785 0.76 AKR1C1 (0.78) AKR1C1AKR1C3ALDH1A1HTTAKR1C2
SCHEMBL10805993 0.76 MAPT (0.50) AKR1C1AKR1C3ALDH1A1HTTMEN1
SCHEMBL39275 0.75 AKR1C1 (1.00) AKR1C1AKR1C3ALDH1A1HTTAKR1C2
SCHEMBL181529 0.75 AKR1C1 (1.00) AKR1C1AKR1C3ALDH1A1HTTAKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896399-B1 BIPHENYL AND NAPHTHYL-PHENYL HYDROXAMIC ACID DERIVATIVES SIGMA TAU IND FARMACEUTI (IT) 2010-11-17 EP disclosed
US-7728039-B2 Biphenyl and Naphthyl-Phenyl Hydroxamic Acid Derivatives SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-06-01 US disclosed
US-20080319082-A1 Biphenyl and Naphthyl-Phenyl Hydroxamic Acid Derivatives SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-12-25 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-20080319082-A1 Biphenyl and Naphthyl-Phenyl Hydroxamic Acid Derivatives VHL, ARNT, AHR AKR1C1 2535/4885AKR1C3 2257/4885ALDH1A1 1055/4885

“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.