SCHEMBL6292947

SCHEMBL6292947

CCC1CCCC(CN)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
NCF1 P14598 1/20 0.36
CYP2D6 P10635 1/20 0.31
CYP1A2 P05177 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL19734420 1.00 EPHX2 (0.37) EPHX2NCF1CYP2D6CYP1A2NOS3
SCHEMBL24480776 1.00 EPHX2 (0.37) EPHX2NCF1CYP2D6CYP1A2NOS3
SCHEMBL19318044 1.00 EPHX2 (0.37) EPHX2NCF1CYP2D6CYP1A2NOS3
SCHEMBL19318047 1.00 EPHX2 (0.37) EPHX2NCF1CYP2D6CYP1A2NOS3
SCHEMBL19318045 1.00 EPHX2 (0.37) EPHX2NCF1CYP2D6CYP1A2NOS3
SCHEMBL22415178 0.95 EPHX2 (0.37) EPHX2NCF1CYP2D6CYP1A2NOS3
SCHEMBL26852981 0.90
SCHEMBL3538934 0.90
SCHEMBL26852980 0.90
SCHEMBL7135021 0.87 EPHX2 (0.39) EPHX2NCF1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3565861-B1 PHOTOCURABLE HARDCOAT COMPOSITIONS, METHODS, AND ARTICLES DERIVED THEREFROM BASF SE (DE) 2023-06-21 EP disclosed
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2021238834-A1 ARYLFORMAMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2021-12-02 WO disclosed
US-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES BASF SE (DE) 2018-08-02 US disclosed
EP-3312209-A1 SELF-HEALING COMPOSITION, SELF-HEALING FILM, AND DEVICE INCLUDING THE SELF-HEALING FILM Samsung Electronics Co., Ltd. (KR) 2018-04-25 EP disclosed
WO-2018025970-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN 広栄化学工業株式会社 2018-02-08 WO disclosed
US-9796627-B2 Epoxy-based substance for fixing purposes, the use thereof and the use of specific components FISCHERWERKE GMBH & CO. KG (DE) 2017-10-24 US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 US disclosed
US-20160355437-A1 EPOXY-BASED SUBSTANCE FOR FIXING PURPOSES, THE USE THEREOF AND THE USE OF SPECIFIC COMPONENTS FISCHERWERKE GMBH & CO KG (DE) 2016-12-08 US disclosed
US-20150307702-A1 EPOXY-BASED SUBSTANCE FOR FIXING PURPOSES, THE USE THEREOF AND THE USE OF SPECIFIC COMPONENTS FISCHERWERKE GMBH & CO. KG (DE) 2015-10-29 US disclosed
US-20150105493-A1 EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-04-16 US disclosed
US-8906979-B2 Macrophotoinitiators BASF SE (DE) 2014-12-09 US disclosed
EP-2562167-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed
EP-1773869-B9 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC (CA) 2013-01-23 EP disclosed
US-20120178844-A1 MACROPHOTOINITIATORS BASF SE (DE) 2012-07-12 US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-7199145-B2 Derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D' 'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2007-04-03 US disclosed
US-6872827-B2 Somatostatin analogue compounds CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2005-03-29 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 (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-20120178844-A1 MACROPHOTOINITIATORS CD68, CD209, MSR1 EPHX2 1465/4885NCF1 830/4885CYP2D6 616/4885
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY ALDH1A2, PDE6C, EYA2 EPHX2 2219/4885NCF1 1755/4885CYP2D6 4852/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 EPHX2 3312/4885NCF1 1995/4885CYP2D6 3847/4885
US-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES CBR1, NR0B1, NR0B2 EPHX2 2480/4885NCF1 1658/4885CYP2D6 551/4885

“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.