SCHEMBL3438253

SCHEMBL3438253

O=C1CCCCC1c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
CYP19A1 P11511 1/20 0.46
TLR4 O00206 1/20 0.46
CYP3A4 P08684 5/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 1/20 0.40
CYP17A1 P05093 4/20 0.39
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
HCAR1 Q9BXC0 2/20 0.37
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
Ethylene SCHEMBL27706119 0.96 DDB1 (0.47) DDB1CRBNCYP19A1TLR4CYP3A4
SCHEMBL15874652 0.80 SLC18A3 (0.51) DDB1CRBNTLR4CA1TP53
SCHEMBL190786 0.80 SLC18A3 (0.51) DDB1CRBNTLR4CA1TP53
SCHEMBL9328018 0.80 SLC18A3 (0.51) DDB1CRBNTLR4CA1TP53
SCHEMBL23595821 0.79 CYP11B2 (0.54) CYP19A1CYP3A4ALDH1A1CYP2C19CYP11B2
SCHEMBL3438226 0.79 CYP11B2 (0.54) CYP19A1CYP3A4ALDH1A1CYP2C19CYP11B2
Hydrogen Peroxide SCHEMBL14842506 0.78 MCL1 (0.53) DDB1CRBNTLR4ALDH1A1GAA
SCHEMBL15874614 0.78 SLC18A3 (0.50) DDB1CRBNTLR4CA1KMT2A
SCHEMBL15660493 0.78 SLC18A3 (0.50) DDB1CRBNTLR4CA1KMT2A
SCHEMBL4063122 0.78 SLC18A3 (0.50) DDB1CRBNTLR4CA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 US disclosed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 EP disclosed
US-5342848-A Relaxation of vascular smooth muscle RHONE-POULENC RORER LIMITED (GB) 1994-08-30 US disclosed
EP-0514419-A1 THIOFORMAMIDE DERIVATIVES Aventis Pharma S.A. (FR) 1992-11-25 EP disclosed
WO-1991012242-A1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1991-08-22 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-20080194882-A1 Process For Production of 2-Benzylphenol Compound CYP1B1, CYP4B1, CYP1A1 DDB1 2571/4885CRBN 2288/4885CYP19A1 34/4885

“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.