SCHEMBL317299

SCHEMBL317299

Cc1cc(C)c(-c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 6/20 0.50
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
ACHE P22303 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL11369300 0.87 RAPGEF4 (0.41) RAPGEF4ALDH1A1TSHRKDM4ELMNA
SCHEMBL11362981 0.87 RAPGEF4 (0.41) RAPGEF4ALDH1A1TSHRKDM4ELMNA
SCHEMBL17527145 0.84 RAPGEF4 (0.39) RAPGEF4ALDH1A1TSHRKDM4ELMNA
SCHEMBL11552812 0.84 ACHE (0.45) RAPGEF4ALDH1A1TSHRKDM4ELMNA
SCHEMBL26200975 0.84 GRIN2D (0.39) RAPGEF4KDM4EMAPTCA1CA2
SCHEMBL15929637 0.84 RAPGEF4 (0.39) RAPGEF4ALDH1A1TSHRKDM4ELMNA
SCHEMBL13147999 0.84 RAPGEF4 (0.41) RAPGEF4ALDH1A1TSHRKDM4ELMNA
SCHEMBL11220843 0.84 RAPGEF4 (0.39) RAPGEF4ALDH1A1TSHRKDM4ELMNA
SCHEMBL28859756 0.84 ALDH1A1 (0.58) RAPGEF4ALDH1A1TSHRKDM4ELMNA
SCHEMBL4140090 0.82 RAPGEF4 (0.40) RAPGEF4ALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805719-A Novel covalent organic framework material with 2-fold BCT topological structure and preparation method thereof 吉林大学 2022-07-29 CN claimed
EP-3784760-A1 HIGH-POWER AND ECO-FRIENDLY FUEL COMPOSITION Total Marketing Services (FR) 2021-03-03 EP claimed
US-9061970-B2 Production of compounds comprising nitrile functional groups INVISTA NORTH AMERICA S.A.R.L. (US) 2015-06-23 US claimed
US-8138348-B2 Using coordination polymerization catalyst EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-20 US claimed
US-20110288327-A1 PROCESS FOR THE MANUFACTURE OF COMPOUNDS COMPRISING NITRILE FUNCTIONAL GROUPS RHODIA OPERATIONS (FR) 2011-11-24 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-20110021804-A1 PRODUCTION OF COMPOUNDS COMPRISING NITRILE FUNCTIONAL GROUPS RHODIA OPERATIONS (FR) 2011-01-27 US claimed
EP-2121183-A1 CHROMIUM COMPLEXES OF PYRIDINE BIS (OXAZOLINE)-LIGANDS FOR ETHYLENE DIMERIZATION ExxonMobil Chemical Patents Inc. (US) 2009-11-25 EP claimed
EP-2114973-A1 METHODS FOR OLIGOMERIZING OLEFINS WITH CHROMIUM PYRIDINE THIOETHER CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2009-11-11 EP claimed
EP-2106402-A1 METHODS FOR OLIGOMERIZING OLEFINS WITH CHROMIUM PYRIDINE PHOSPHINO CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2009-10-07 EP claimed
US-20080200743-A1 Methods For Oligomerizing Olefins With Chromium Pyridine Ether Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2008-08-21 US claimed
US-20080188633-A1 Methods For Oligomerizing Olefins With Chromium Pyridine Phosphino Catalysts SYMYX TECHNOLOGIES, INC. 2008-08-07 US claimed
US-20080182951-A1 Chromium Pyridine Bis(Oxazoline) And Related Catalysts For Ethylene Dimerization EXXONMOBIL CHEMICAL PATENTS INC. 2008-07-31 US claimed
US-20080182989-A1 Methods For Oligomerizing Olefins With Chromium Pyridine Mono-Oxazoline Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2008-07-31 US claimed
WO-2008085657-A1 CHROMIUM COMPLEXES OF PYRIDINE BIS (OXAZOLINE)- LIGANDS FOR ETHYLENE DIMERI ZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-07-17 WO claimed
WO-2008085658-A1 METHODS FOR OLIGOMERIZING OLEFINS WITH CHROMIUM PYRIDINE THIOETHER CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-07-17 WO claimed
WO-2008085655-A1 METHODS FOR OLIGOMERIZING OLEFINS WITH CHROMIUM PYRIDINE MONO-OXAZOLINE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-07-17 WO claimed
WO-2008085653-A1 METHODS FOR OLIGOMERIZING OLEFINS WITH CHROMIUM PYRIDINE PHOSPHINO CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-07-17 WO claimed
US-20020193631-A1 METHOD FOR PREPARING AROMATIC CARBOXYLIC ACIDS FROM ALKYLAROMATICS BY LIQUIE-PHASE OXIDATION KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2002-12-19 US claimed
US-20020107138-A1 Recyclable metathesis catalysts NATIONAL SCIENCE FOUNDATION 2002-08-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20110288327-A1 PROCESS FOR THE MANUFACTURE OF COMPOUNDS COMPRISING NITRILE FUNCTIONAL GROUPS NIT2, LPO, CNDP2 RAPGEF4 1191/4885ALDH1A1 3504/4885TSHR 3552/4885
US-20110172381-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS RCSD1, RRP12, TIAM1 RAPGEF4 637/4885ALDH1A1 3240/4885TSHR 3248/4885
US-20080200743-A1 Methods For Oligomerizing Olefins With Chromium Pyridine Ether Catalysts OXER1, NOD1, NOD2 RAPGEF4 2022/4885ALDH1A1 3426/4885TSHR 2792/4885
US-20110021804-A1 PRODUCTION OF COMPOUNDS COMPRISING NITRILE FUNCTIONAL GROUPS NOS2, NOS1, NIT2 RAPGEF4 1584/4885ALDH1A1 2383/4885TSHR 1848/4885
US-20080182989-A1 Methods For Oligomerizing Olefins With Chromium Pyridine Mono-Oxazoline Catalysts OXER1, OXGR1, OXA1L RAPGEF4 4180/4885ALDH1A1 2335/4885TSHR 3399/4885

“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.