SCHEMBL3685992

SCHEMBL3685992

CCCCCC1=Cc2ccccc2[CH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.43
KCNH2 Q12809 3/20 0.38
PTPN1 P18031 1/20 0.38
LPL P06858 2/20 0.36
GPR3 P46089 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SETD7 Q8WTS6 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL218346 0.98 LIPG (0.46) LIPGKCNH2PTPN1LPLGPR3
SCHEMBL3684071 0.98 LIPG (0.46) LIPGKCNH2PTPN1LPLGPR3
SCHEMBL3681427 0.98 LIPG (0.46) LIPGKCNH2PTPN1LPLGPR3
SCHEMBL216968 0.98 LIPG (0.46) LIPGKCNH2PTPN1LPLGPR3
SCHEMBL219214 0.94 LIPG (0.36) LIPGKCNH2PTPN1SETD7SIGMAR1
SCHEMBL27619013 0.92 LIPG (0.35) LIPGKCNH2PTPN1SETD7SIGMAR1
SCHEMBL27619058 0.87 LIPG (0.33) LIPGSETD7
SCHEMBL27948576 0.87 LIPG (0.36) LIPGLPLSETD7
SCHEMBL27933157 0.87 LIPG (0.33) LIPGSETD7
SCHEMBL27948720 0.87 LIPG (0.33) LIPGSETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140219911-A1 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-07 US claimed
WO-2013033018-A2 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION DREXEL UNIVERSITY (US) 2013-03-07 WO claimed
EP-1188763-B1 Metallocenes and their use in olefin polymerisation BASELL POLYOLEFINE GMBH (DE) 2005-03-09 EP claimed
EP-1188763-A2 Metallocenes and their use in olefin polymerisation Basell Polyolefine GmbH (DE) 2002-03-20 EP claimed
US-5693730-A METALLOCENES HAVING MORE THAN ONE CENTRAL ATOM AND A SPECIAL BRIDGE STRUCTURE FOR PREPARING ISOTACTIC, HIGH-MOLECULAR-WEIGHT POLYMERS HAVING GOOD GRAIN MORPHOLOGY; PROPYLENE HOMO- AND COPOLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-02 US claimed
EP-2752401-B1 PRODUCTION METHOD FOR 2-ALKENYLAMINE COMPOUND SHOWA DENKO KK (JP) 2018-10-10 EP disclosed
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-9527066-B2 Dihydroxybipyridine complexes of ruthenium and iridium for water oxidation and hydrogenation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-12-27 US disclosed
US-9440907-B2 Production method for 2-alkenylamine compound SHOWA DENKO K.K. (JP) 2016-09-13 US disclosed
US-9346740-B2 Production method for 2-alkenylamine compound SHOWA DENKO K.K. (JP) 2016-05-24 US disclosed
US-5543373-A OLEFIN POLYMERIZATION CATALYST HOECHST AG (DE) 1996-08-06 US disclosed
US-5532396-A HAS TWO INDENYL LIGANDS WITH DIFFERENT SUBSTITUTION PATTERNS ON THE SIX-MEMBERED RINGS. LIGANDS ARE JOINED BY DIVALENT GROUP CONNECTING FIVE-MEMBERED RINGS. METAL IS FROM GROUP /IVB/, /VB/ OR /VIB/. OLEFIN POLYMERIZATION CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed
CN-1109061-A Metallocenic compound HOECHST AG (DE) 1995-09-27 CN disclosed
CN-1107854-A Metalocenes compound HOECHST AG (DE) 1995-09-06 CN disclosed
CN-1107162-A Metallocen method for preparation of same and application of same as catalyst HOECHST AG (DE) 1995-08-23 CN disclosed
EP-0659756-A1 Metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-28 EP disclosed
EP-0659757-A1 Metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-28 EP disclosed
EP-0654476-A1 Metallocenes, their preparation and use as catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-24 EP 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 (1 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-20170036200-A1 1-HEXENE PRODUCTION PROCESS AP1M1, HK1, CYC1 LIPG 3339/4885KCNH2 1395/4885PTPN1 3425/4885

“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.