SCHEMBL3637263

SCHEMBL3637263

C=CCC1CCCC(CC=C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.46
NOS2 P35228 4/20 0.46
PRSS1 P07477 2/20 0.43
CTRC Q99895 2/20 0.43
F2 P00734 1/20 0.43
FAAH O00519 1/20 0.38
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NOS3 P29474 2/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 2/20 0.32
ACE P12821 1/20 0.30

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
SCHEMBL6402909 0.90 FAAH (0.40) NOS1NOS2PRSS1CTRCF2
SCHEMBL3535755 0.86 NOS1 (0.40) NOS1NOS2PRSS1CTRCF2
SCHEMBL22273296 0.82 NOS1 (0.35) NOS1NOS2PRSS1CTRCF2
SCHEMBL17964264 0.81 TP53 (0.50) NOS1NOS2PRSS1CTRCF2
SCHEMBL22264485 0.80 TP53 (0.36) NOS1NOS2PRSS1CTRCF2
SCHEMBL28168174 0.79 PRSS1 (0.34) NOS1NOS2PRSS1CTRCF2
SCHEMBL29886436 0.77
SCHEMBL15423555 0.77
SCHEMBL2051321 0.77
SCHEMBL3942028 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114701-A Oxidation and reduction of an anthraquinone in carbamate KEMIRA OY (FI) 1992-05-19 US claimed
EP-2167621-B1 ORGANIC COMPOUNDS AS ODORANTS GIVAUDAN SA (CH) 2017-10-11 EP disclosed
US-9012391-B2 Organic compounds GIVAUDAN SA (CH) 2015-04-21 US disclosed
US-20100292128-A1 Organic Compounds GIVAUDAN SA (CH) 2010-11-18 US disclosed
EP-2167621-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-03-31 EP disclosed
WO-2008151455-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-12-18 WO disclosed
EP-0611126-B1 A hydrogenation catalyst for use in a hydrogen peroxide process, and a method for the preparation thereof KEMIRA OY (FI) 1998-11-25 EP disclosed
US-5435985-A Anthraquinone process using metal catalysts of palladium group or platinum group with other metals KEMIRA OY (FI) 1995-07-25 US disclosed
EP-0611126-A1 A hydrogenation catalyst for use in a hydrogen peroxide process, and a method for the preparation thereof KEMIRA OY (FI) 1994-08-17 EP disclosed
US-5114701-A Oxidation and reduction of an anthraquinone in carbamate KEMIRA OY (FI) 1992-05-19 US disclosed
EP-0095822-B1 HYDROGEN PEROXIDE PROCESS FMC Corporation (US) 1985-06-12 EP disclosed
US-4457944-A REFATTING OILS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-07-03 US disclosed
EP-0095822-A1 Hydrogen peroxide process FMC Corporation (US) 1983-12-07 EP disclosed
US-4394369-A AUTOOXIDATION OF ANTHRAQUINONE IN A N-SUBSTITUTED PYRROLIDONE SOLVENT FMC CORPORATION (US) 1983-07-19 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-20100292128-A1 Organic Compounds TRPA1, FASN, OR10J3 NOS1 2330/4885NOS2 2178/4885PRSS1 3264/4885

“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.