SCHEMBL7713442

SCHEMBL7713442

C=CCNC1CCCCC1(NCC=C)NCC=C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL254099 0.77
SCHEMBL253119 0.71 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL818299 0.69
SCHEMBL253456 0.69
SCHEMBL7536595 0.68 DPP7 (0.52) ALDH1A1
SCHEMBL1485739 0.68 DPP7 (0.52) ALDH1A1
SCHEMBL7533868 0.68 DPP7 (0.52) ALDH1A1
SCHEMBL479254 0.68 DPP7 (0.52) ALDH1A1
SCHEMBL14473427 0.68 DPP7 (0.52) ALDH1A1
Ammonia Solution, Strong SCHEMBL6390287 0.66 DPP7 (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526921-B1 DENTAL RESTORATIVE MATERIAL KERR CORP (US) 2022-12-21 EP disclosed
EP-3168256-B1 EYEWEAR MATERIAL COMPRISING A POLYURETHANE RESIN, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-08-07 EP disclosed
EP-3037411-B1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-03-27 EP disclosed
EP-3168256-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS Mitsui Chemicals, Inc. (JP) 2017-05-17 EP disclosed
US-9642782-B2 Dental restorative material KERR CORPORATION (US) 2017-05-09 US disclosed
EP-3037411-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED PRODUCT, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS Mitsui Chemicals, Inc. (JP) 2016-06-29 EP disclosed
US-20160128910-A1 DENTAL RESTORATIVE MATERIAL KERR CORPORATION 2016-05-12 US disclosed
US-9237991-B2 Dental restorative material KERR CORPORATION (US) 2016-01-19 US disclosed
US-20140371342-A1 DENTAL RESTORATIVE MATERIAL KERR CORPORATION 2014-12-18 US disclosed
US-8822564-B2 Dental restorative material KERR CORPORATION (US) 2014-09-02 US disclosed
US-20120302662-A1 DENTAL RESTORATIVE MATERIAL KERR CORPORATION (US) 2012-11-29 US disclosed
US-6395803-B1 POLYMERIZABLE ACRYLIC MONOMER, FILLER AND AMIDE RHEOLOGICAL MODIFIER; SHRINKAGE INHIBITION, PHYSICAL PROPERTIES, WEAR RESISTANCE KERR CORPORATION 2002-05-28 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 (3 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-20160128910-A1 DENTAL RESTORATIVE MATERIAL RPP30, RPL30, RPL6 OPRM1 1184/4885OPRD1 1405/4885OPRK1 3074/4885
US-20120302662-A1 DENTAL RESTORATIVE MATERIAL RPP30, RPL30, RPL6 OPRM1 1184/4885OPRD1 1405/4885OPRK1 3074/4885
US-20140371342-A1 DENTAL RESTORATIVE MATERIAL RPP30, RPL30, RPL6 OPRM1 1184/4885OPRD1 1405/4885OPRK1 3074/4885

“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.