SCHEMBL339444

SCHEMBL339444

Cc1[c]c(Cc2c(C)cc(C)cc2C)cc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RAPGEF4 Q8WZA2 2/20 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
SCHEMBL5050246 0.86
SCHEMBL10634786 0.79 PYCR1 (0.36) RAPGEF4
SCHEMBL225913 0.78 ALDH1A1 (0.36)
SCHEMBL1316919 0.75 HTR1D (0.48) HTR1DHTR1BHRH3CYP11B1CYP11B2
SCHEMBL466431 0.75 NOS3 (0.31)
SCHEMBL2018627 0.74 CALM1 (0.41)
SCHEMBL9154090 0.74
SCHEMBL7784851 0.73 TPMT (0.31)
SCHEMBL7747162 0.73
SCHEMBL27692561 0.71 NOS3 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031798-B1 A novel cross-linker for the preparation of a new family of single ion conduction polymers for electrochemical devices and such polymers BELENOS CLEAN POWER HOLDING AG (CH) 2017-09-27 EP claimed
US-20120016093-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS ZANNAN SCITECH CO., LTD. (CN) 2012-01-19 US claimed
US-8049025-B2 Recyclable ruthenium catalysts for metathesis reactions ZANNAN SCITECH CO., LTD. (CN) 2011-11-01 US claimed
US-20110172381-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS ZANNA SCITECH CO., LTD. (CN) 2011-07-14 US claimed
US-20110009621-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS Raap Polymere GmbH (DE) 2011-01-13 US claimed
US-20020107138-A1 Recyclable metathesis catalysts NATIONAL SCIENCE FOUNDATION 2002-08-08 US claimed
EP-3607002-A1 COLORANT MIXTURES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2020-02-12 EP disclosed
WO-2018184770-A1 COLORANT MIXTURES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2018-10-11 WO disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-8097348-B2 Pi-conjugated organoboron polymers in thin-film organic electronic devices TDA RESEARCH, INC. (US) 2012-01-17 US disclosed
EP-1576039-B1 CATALYTIC DEPOLYMERIZATION OF POLYMERS CONTAINING ELECTROPHILIC LINKAGES USING NUCLEOPHILIC REAGENTS IBM (US) 2011-08-03 EP disclosed
EP-1577282-B1 Metal complexes for use in olefin metathesis and atom or group transfer reactions TELENE SAS (FR) 2011-06-15 EP disclosed
US-20110034715-A1 Cyclopentadienylphosphazene complexes (CpPN Complexes) of metals of the third and fourth group and of the lanthanoids PHILIPPS-UNIVERSITAT MARBURG (DE) 2011-02-10 US disclosed
US-20060224016-A1 Process for preparing 3-aminophenylacetylenes FUJI PHOTO FILM CO., LTD. 2006-10-05 US disclosed
US-20060141543-A1 Cellular retinoic acid binding protein II as a marker for breast cancer ROCHE DIAGNOSTICS OPERATIONS, INC. 2006-06-29 US disclosed
US-20050043541-A1 Metal complexes useful in metathesis and other reactions RIMTEC CORPORATION (JP) 2005-02-24 US disclosed
US-20040019212-A1 Recyclable chiral metathesis catalysts TRUSTEES OF BOSTON COLLEGE 2004-01-29 US disclosed
US-6045974-A ADDITION PHOTOPOLYMERIZATION OF NONVOLATILE MONOMERIC, OLIGOMERIC OR POLYMERIC COMPOUNDS CONTAINING AT LEAST ONE ETHYLENICALLY UNSATURATED DOUBLE BOND CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-04-04 US disclosed
US-5952152-A POLYMERIZABLE MIXTURE COMPRISING AT LEAST ONE ETHYLENICALLY UNSATURATED COMPOUND AND AN ANIONIC BORON COMPOUND ACTIVATOR CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-09-14 US disclosed
US-5932393-A Borate photoinitiators from monoboranes CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-03 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 (8 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-20050043541-A1 Metal complexes useful in metathesis and other reactions TST, ETFA, TTPA HTR1D 2869/4885HTR1B 2397/4885HRH3 4652/4885
US-20110009621-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS SCO2, SOD1, PPIF HTR1D 4737/4885HTR1B 4620/4885HRH3 4603/4885
US-20040019212-A1 Recyclable chiral metathesis catalysts TIAM1, OPRM1, PCNA HTR1D 3503/4885HTR1B 3032/4885HRH3 3475/4885
US-20120016093-A1 RECYCLABLE RUTHENIUM CATALYSTS FOR METATHESIS REACTIONS RPIA, REV1, RCSD1 HTR1D 4179/4885HTR1B 3095/4885HRH3 1642/4885
US-20110172381-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS RCSD1, RRP12, TIAM1 HTR1D 4250/4885HTR1B 3752/4885HRH3 2711/4885
US-20110034715-A1 Cyclopentadienylphosphazene complexes (CpPN Complexes) of metals of the third and fourth group and of the lanthanoids CPNE4, CPN1, NCLN HTR1D 4256/4885HTR1B 3514/4885HRH3 873/4885
US-20060224016-A1 Process for preparing 3-aminophenylacetylenes NAT1, NAT10, KAT7 HTR1D 3764/4885HTR1B 2761/4885HRH3 177/4885
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 HTR1D 1808/4885HTR1B 2613/4885HRH3 987/4885

“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.