SCHEMBL3291964

SCHEMBL3291964

N#Cc1ccc(-c2ccccc2)c(C=CC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
PTGER1 P34995 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
BACE1 P56817 3/20 0.45
FFAR1 O14842 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NFKB1 P19838 1/20 0.42
CA4 P22748 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGER4 P35408 1/20 0.41
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 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
SCHEMBL3291963 1.00 PTGDR2 (0.47) PTGDR2LTB4RLTB4R2PTGER1PTGER3
SCHEMBL3294811 0.86 HDAC2 (0.55) PTGDR2BACE1HDAC3HDAC4HDAC1
SCHEMBL3294813 0.86 HDAC2 (0.55) PTGDR2BACE1HDAC3HDAC4HDAC1
SCHEMBL3291012 0.85 PTGDR2 (0.45) PTGDR2LTB4RLTB4R2BACE1MAPT
SCHEMBL3291017 0.85 PTGDR2 (0.45) PTGDR2LTB4RLTB4R2BACE1MAPT
SCHEMBL9421252 0.84 PTGER3 (0.57) PTGDR2PTGER1PTGER3PTGER2BACE1
SCHEMBL5598955 0.80 PTGDR2 (0.46) PTGDR2CA1CA2MEN1KMT2A
SCHEMBL28386953 0.78 BACE1 (0.59) LTB4RLTB4R2PTGER1PTGER3PTGER2
SCHEMBL5386165 0.77 FFAR1 (0.39) FFAR1CA1CA2NFKB1CA4
SCHEMBL16975540 0.77 FFAR1 (0.41) FFAR1CA1CA2NFKB1CA4

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 2240/4885LTB4R 3771/4885LTB4R2 3860/4885

“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.