SCHEMBL3676942

SCHEMBL3676942

Cc1cc(C)c(N2CC(=Cc3ccccc3)N(c3c(C)cc(C)cc3C)C2(Cl)Cl)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ACHE P22303 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
SCHEMBL23630012 1.00 NPC1 (0.31) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL29482315 0.99 NPC1 (0.31) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL2967977 0.68 NPC1 (0.32) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL13238426 0.65 MAPT (0.39) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL388609 0.64 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL388608 0.64 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL13238425 0.63 MAPT (0.39) NPC1ALDH1A1MAPTHPGDRAB9A
Pyridine SCHEMBL4442754 0.62 NPC1 (0.31) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL28059372 0.60 TACR1 (0.33) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL17921978 0.59 MAPT (0.39) NPC1ALDH1A1MAPTHPGDRAB9A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233768-B1 1,3-BUTADIENE SYNTHESIS ARLANXEO DEUTSCHLAND GMBH (DE) 2019-02-20 EP claimed
EP-3233768-A1 1,3-BUTADIENE SYNTHESIS Lanxess Deutschland GmbH (DE) 2017-10-25 EP claimed
WO-2016096846-A1 1,3-BUTADIENE SYNTHESIS LANXESS DEUTSCHLAND GMBH (DE) 2016-06-23 WO claimed
EP-3034486-A1 1,3-butadiene synthesis LANXESS Deutschland GmbH (DE) 2016-06-22 EP claimed
US-20120289617-A1 Hybrid Catalyst for Olefin Metathesis SAUDI ARABIAN OIL COMPANY (SA) 2012-11-15 US claimed
US-20060205804-A1 Process for preparing 5-(4-fluorophenyl)-1-[2r,4r)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl) ethyl]-2-isopropyl-4-phenyl-1h-pyrrole-3-carboxylic acid phenylamide NELSON JAMES D 2006-09-14 US claimed
EP-1615883-A1 PROCESS FOR PREPARING 5-(4-FLUOROPHENYL)-1-[2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE WARNER-LAMBERT COMPANY (US) 2006-01-18 EP claimed
WO-2004089894-A1 PROCESS FOR PREPARING 5-(4-FLUOROPHENYL)-1-[2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-PYRAN-2-YL)ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO claimed
EP-2057205-B1 PRODUCTION OF META-BLOCK COPOLYMERS BY POLYMER SEGMENT INTERCHANGE DOW GLOBAL TECHNOLOGIES LLC (US) 2017-02-08 EP disclosed
EP-2061827-B1 PRODUCTION OF BLOCKCOPOLYMERS BY AMORPHOUS POLYMER SEGMENT INTERCHANGE VIA METATHESIS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-03-02 EP disclosed
EP-2592932-B1 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2016-01-20 EP disclosed
US-20150374680-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIVERSITE DE STRASBOURG (FR) 2015-12-31 US disclosed
EP-2785763-A1 FUNCTIONALIZATION OF VINYL TERMINATED POLYMERS BY RING OPENING CROSS METATHESIS ExxonMobil Chemical Patents Inc. (US) 2014-10-08 EP disclosed
US-20140031302-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIVERSITE DE STRASBOURG (FR) 2014-01-30 US disclosed
EP-2061826-A2 PRODUCTION OF RANDOM BLOCKCOPOLYMERS VIA HIGH MELTING POLYMER SEGMENT METATHESIS Dow Global Technologies Inc. (US) 2009-05-27 EP disclosed
EP-2057205-A2 PRODUCTION OF META-BLOCK COPOLYMERS BY POLYMER SEGMENT INTERCHANGE Dow Global Technologies Inc. (US) 2009-05-13 EP disclosed
WO-2008125421-A1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-10-23 WO disclosed
WO-2008027267-A2 PRODUCTION OF RANDOM BLOCKCOPOLYMERS VIA HIGH MELTING POLYMER SEGMENT METATHESIS DOW GLOBAL TECHNOLOGIES INC. (US) 2008-03-06 WO disclosed
WO-2008027268-A2 PRODUCTION OF BLOCKCOPOLYMERS BY AMORPHOUS POLYMER SEGMENT INTERCHANGE VIA METATHESIS DOW GLOBAL TECHNOLOGIES INC. (US) 2008-03-06 WO disclosed
WO-2008027283-A2 PRODUCTION OF META-BLOCK COPOLYMERS BY POLYMER SEGMENT INTERCHANGE DOW GLOBAL TECHNOLOGIES INC. (US) 2008-03-06 WO 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-20150374680-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES HSP90AB2P, HSP90AB1, HSP90AA1 NPC1 2751/4885ALDH1A1 2726/4885MAPT 978/4885
US-20060205804-A1 Process for preparing 5-(4-fluorophenyl)-1-[2r,4r)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl) ethyl]-2-isopropyl-4-phenyl-1h-pyrrole-3-carboxylic acid phenylamide HMGCR, ORAI1, PKD2 NPC1 311/4885ALDH1A1 2980/4885MAPT 1469/4885
US-20140031302-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES HSP90AB2P, HSP90AB1, HSP90AA1 NPC1 2920/4885ALDH1A1 2324/4885MAPT 1022/4885

“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.