SCHEMBL3166187

SCHEMBL3166187

[CH](CC1CCC1)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 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
SCHEMBL3137204 0.97 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4653000 0.97 ADH1B (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8670105 0.97 ADH1B (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10528749 0.94 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3636058 0.94 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4654343 0.94 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11407090 0.94 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4578985 0.92
SCHEMBL1758252 0.92
SCHEMBL5463726 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776012-A1 AMINOCARBONYL-SUBSTITUTED THIENSULPHONYLAMINO (THIO) CARBONYLTRIAZOLIN (THI) ONES METHODS FOR PRODUCTION AND USE THEREOF Bayer CropScience Aktiengesellschaft (DE) 2007-04-25 EP claimed
WO-2006012983-A1 AMINOCARBONYL-SUBSTITUTED THIENSULPHONYLAMINO (THIO) CARBONYLTRIAZOLIN (THI) ONES METHODS FOR PRODUCTION AND USE THEREOF BAYER CROPSCIENCE AG (DE) 2006-02-09 WO claimed
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS, INC. (US) 2019-02-07 US disclosed
EP-2168580-B1 REMEDY OR PREVENTIVE FOR SCHIZOPHRENIA TORAY INDUSTRIES (JP) 2015-12-02 EP disclosed
US-8183256-B2 Remedy or preventive for integration dysfunction syndrome TORAY INDUSTRIES, INC. (JP) 2012-05-22 US disclosed
US-20100160364-A1 REMEDY OR PREVENTIVE FOR INTEGRATION DYSFUNCTION SYNDROME TORAY INDUSTRIES, INC. (JP) 2010-06-24 US disclosed
EP-2168580-A1 REMEDY OR PREVENTIVE FOR INTEGRATION DYSFUNCTION SYNDROME Toray Industries, Inc. (JP) 2010-03-31 EP disclosed
US-20070244081-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESTOA 2007-10-18 US disclosed
US-7235668-B2 Process for the preparation of thioalkylamine derivatives BAYER CROPSCIENCE AG (DE) 2007-06-26 US disclosed
EP-1599465-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES Bayer CropScience AG (DE) 2005-11-30 EP disclosed
US-20050182275-A1 Process for the preparation of thioalkylamine derivatives BAYER CORPSCIENCE AG (DE) 2005-08-18 US disclosed
EP-1504005-A2 SUBSTITUTED PYRAZOLO-PYRIMIDINE-4-ONES Bayer CropScience AG (DE) 2005-02-09 EP disclosed
US-6838415-B1 Substituted benzoylisoxazoles and the use thereof as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
WO-2004074274-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-09-02 WO disclosed
WO-2003093269-A2 SUBSTITUTED PYRAZOLO-PYRIMIDINE-4-ONES BAYER CROPSCIENCE AG (DE) 2003-11-13 WO disclosed
EP-0139388-B1 PYRROLIZIDINONES AND INDOLIZIDONES THE UPJOHN COMPANY (US) 1988-11-17 EP 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 (4 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-20100160364-A1 REMEDY OR PREVENTIVE FOR INTEGRATION DYSFUNCTION SYNDROME GAP43, GRIN2A, GRIN1 ADH1B 613/4885ADH1C 338/4885ADH1A 199/4885
US-20050182275-A1 Process for the preparation of thioalkylamine derivatives TST, OPRM1, TMT1A ADH1B 275/4885ADH1C 174/4885ADH1A 88/4885
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 ADH1B 3176/4885ADH1C 2664/4885ADH1A 3493/4885
US-20070244081-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS BET1, PGGT1B, RABGGTB ADH1B 4844/4885ADH1C 4719/4885ADH1A 4459/4885

“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.