SCHEMBL6672804

SCHEMBL6672804

CC1CC(C)(C)CC(COC#N)(N=C=O)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL29360260 0.83 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL2329869 0.78 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL2929318 0.78 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL31722050 0.75 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL25659315 0.74 ESR1 (0.30)
Cyanate SCHEMBL10596478 0.69 ESR1 (0.32) ALDH1A1CYP3A4
SCHEMBL434084 0.69 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL1081191 0.69 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL9189621 0.68
SCHEMBL2777671 0.68 ALDH1A1 (0.31) ALDH1A1CYP3A4

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-20120263778-A1 POLYURETHANE UREA FOR STENT COATINGS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-18 US disclosed
EP-1458780-A1 PREPOLYMERS ON THE BASIS OF ISOPHORONE DIISOCYANATE WHICH ARE LOW IN MONOMERS AND CONTAIN NCO Bayer MaterialScience AG (DE) 2004-09-22 EP disclosed
WO-2003051950-A1 PREPOLYMERS ON THE BASIS OF ISOPHORONE DIISOCYANATE WHICH ARE LOW IN MONOMERS AND CONTAIN NCO BAYER MATERIALSCIENCE AG (DE) 2003-06-26 WO disclosed
EP-1276785-A1 POLYURETHANE COATINGS, BASED ON POLYISOCYANATES CONTAINING URETDIONE AND/OR OXADIAZINETRIONE GROUPS Bayer Aktiengesellschaft (DE) 2003-01-22 EP disclosed
WO-2001064767-A1 POLYURETHANE COATINGS, BASED ON POLYISOCYANATES CONTAINING URETDIONE AND/OR OXADIAZINETRIONE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-07 WO disclosed
EP-0408990-A2 Thermosetting reaction resin mixture SIEMENS AKTIENGESELLSCHAFT (DE) 1991-01-23 EP disclosed
EP-0306801-A2 Use of an aquous suspension in air jet blasting BAYER AG (DE) 1989-03-15 EP disclosed
EP-0297396-A2 Laminate of sheet metal and duroplastic; method of making such a laminate and its use in the manufacture of cars DSM N.V. (NL) 1989-01-04 EP disclosed
EP-0284933-A2 Foamed microspheres and process for their preparation BAYER AG (DE) 1988-10-05 EP disclosed
EP-0130451-B1 COATING PREPARATION PROCESS BASF Aktiengesellschaft (DE) 1988-03-30 EP disclosed
EP-0099011-B1 PROCESS FOR THE PREPARATION OF COATINGS BASF Aktiengesellschaft (DE) 1986-05-14 EP disclosed
EP-0075206-A1 Process for the preparation of coatings BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed
EP-0004927-B1 POLYURETHANES WHICH ARE DISPERSIBLE OR SOLUBLE IN WATER AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1982-02-24 EP disclosed
EP-0039797-A1 Contact adhesive containing polyisocyanates BASF Aktiengesellschaft (DE) 1981-11-18 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 (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-20120263778-A1 POLYURETHANE UREA FOR STENT COATINGS UROD, PUF60, UTS2R ALDH1A1 1832/4885CYP3A4 1775/4885

“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.