SCHEMBL3291012

SCHEMBL3291012

COC(=O)/C=C/c1cc(C#N)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
BACE1 P56817 3/20 0.43
HDAC8 Q9BY41 4/20 0.43
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL3291017 1.00 PTGDR2 (0.45) PTGDR2BACE1HDAC8IP6K1IP6K3
SCHEMBL3291963 0.85 PTGDR2 (0.47) PTGDR2BACE1HDAC8CCNCCDK8
SCHEMBL3291964 0.85 PTGDR2 (0.47) PTGDR2BACE1HDAC8CCNCCDK8
SCHEMBL3294811 0.83 HDAC2 (0.55) PTGDR2BACE1HDAC8HDAC3HDAC1
SCHEMBL3294813 0.83 HDAC2 (0.55) PTGDR2BACE1HDAC8HDAC3HDAC1
SCHEMBL3295959 0.80 HDAC8 (0.61) BACE1HDAC8CCNCCDK8ALDH1A1
SCHEMBL3295963 0.80 HDAC8 (0.61) BACE1HDAC8CCNCCDK8ALDH1A1
SCHEMBL16971076 0.80 ALDH1A1 (0.47) CCNCCDK8ALDH1A1MAPTKMT2A
SCHEMBL29246429 0.79 BACE1 (0.55) BACE1HDAC8IP6K1IP6K3IP6K2
SCHEMBL30578185 0.79 ALDH1A1 (0.46) CCNCCDK8ALDH1A1MAPTKMT2A

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 5 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
EP-1896399-A1 BIPHENYL AND NAPHTHYL-PHENYL HYDROXAMIC ACID DERIVATIVES SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-03-12 EP disclosed
WO-2007000383-A1 BIPHENYL AND NAPHTHYL-PHENYL HYDROXAMIC ACID DERIVATIVES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-01-04 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-20080319082-A1 Biphenyl and Naphthyl-Phenyl Hydroxamic Acid Derivatives VHL, ARNT, AHR PTGDR2 2240/4885BACE1 2923/4885HDAC8 101/4885

“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.