SCHEMBL7089674

SCHEMBL7089674

CC1(C)CC(N)CC(C)(CN=C=O)C1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
CYP3A4 P08684 1/20 0.66

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
SCHEMBL19217556 1.00 ALDH1A1 (0.66) ALDH1A1CYP3A4
SCHEMBL19215771 1.00 ALDH1A1 (0.66) ALDH1A1CYP3A4
SCHEMBL10013736 0.82 ALDH1A1 (0.66) ALDH1A1CYP3A4
SCHEMBL23604784 0.81 ALDH1A1 (0.64) ALDH1A1CYP3A4
SCHEMBL23604782 0.81 ALDH1A1 (0.64) ALDH1A1CYP3A4
SCHEMBL2821152 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL6836764 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL30393565 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL28910450 0.79 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL15846 0.79 ALDH1A1 (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4401801-A Coating and dressing agents for leather and leather substitutes based on polyurethane urea coating compounds BAYER AKTIENGESELLSCHAFT (DE) 1983-08-30 US claimed
EP-2821429-B1 Siloxane polymers with central polysiloxane polymer block with urea and/or carbamate groups and amino acid residues with terminal organofunctional residues EVONIK DEGUSSA GMBH (DE) 2017-03-22 EP disclosed
US-20150004113-A1 SILOXANE POLYMERS WITH A CENTRAL POLYSILOXANE POLYMER BLOCK WITH TERMINAL ORGANOFUNCTIONAL RADICALS COMPRISING UREA AND/OR CARBAMATE GROUPS AND AMINO ACID RADICALS EVONIK DEGUSSA GMBH (DE) 2015-01-01 US disclosed
US-20150004112-A1 SILOXANE POLYMERS WITH A CENTRAL POLYSILOXANE POLYMER BLOCK WITH ORGANOFUNCTIONAL RADICALS EACH HAVING AT LEAST TWO BIVALENT GROUPS SELECTED FROM UREA AND/OR CARBAMATE GROUPS AND AT LEAST ONE UV/VIS CHROMOPHORE AS RADICAL EVONIK INDUSTRIES AG (DE) 2015-01-01 US disclosed
WO-2009155291-A1 CURABLE COMPOSITIONS CONTAINING URETHANE LINKAGES FOR REWORKABLE ADHESIVES HENKEL CORPORATION (US) 2009-12-23 WO disclosed
WO-2007021762-A2 METHODS AND MATERIALS FOR FABRICATING MICROFLUIDIC DEVICES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-02-22 WO disclosed
EP-0996655-B1 THIXOTROPIC TWO-COMPONENT POLYURETHANE SYSTEMS SIKA GMBH (DE) 2003-08-06 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 (2 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-20150004112-A1 SILOXANE POLYMERS WITH A CENTRAL POLYSILOXANE POLYMER BLOCK WITH ORGANOFUNCTIONAL RADICALS EACH HAVING AT LEAST TWO BIVALENT GROUPS SELECTED FROM UREA AND/OR CARBAMATE GROUPS AND AT LEAST ONE UV/VIS CHROMOPHORE AS RADICAL CCNI, UBE2I, CCNB1 ALDH1A1 2209/4885CYP3A4 1031/4885
US-20150004113-A1 SILOXANE POLYMERS WITH A CENTRAL POLYSILOXANE POLYMER BLOCK WITH TERMINAL ORGANOFUNCTIONAL RADICALS COMPRISING UREA AND/OR CARBAMATE GROUPS AND AMINO ACID RADICALS UBE2I, CCNI, IL4I1 ALDH1A1 3526/4885CYP3A4 1665/4885

“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.