SCHEMBL313501

SCHEMBL313501

[CH]1c2ccccc2-c2cccc(C3c4ccccc4-c4ccccc43)c21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
GPR3 P46089 1/20 0.33
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL28903741 0.76 HTR2A (0.38) HTR2AGPR3ALDH1A1L3MBTL1CA1
SCHEMBL9322592 0.76 PTGS2 (0.36)
SCHEMBL3443208 0.75 ALDH1A1 (0.37) HTR2AALDH1A1
SCHEMBL2968887 0.74 PTGS2 (0.41) ALDH1A1
SCHEMBL313823 0.74 HTR6 (0.32) HTR2A
SCHEMBL3192100 0.74 ALDH1A1 (0.48) ALDH1A1L3MBTL1
SCHEMBL4022049 0.69 HTR2A (0.46) HTR2AGPR3ALDH1A1L3MBTL1CA1
SCHEMBL3630933 0.69 ALDH1A1 (0.52) HTR2AGPR3ALDH1A1L3MBTL1CA1
SCHEMBL246576 0.68 ALDH1A1 (0.39) ALDH1A1L3MBTL1CA1CA2
SCHEMBL216981 0.68 ACHE (0.39) ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237719-A1 Preparation and Use of Tetrasubstituted Fluorenyl Catalysts for Polymerization of Olefins FINA TECHNOLOGY, INC. (US) 2013-09-12 US disclosed
US-20120095175-A1 PREPARATION AND USE OF TETRASUBSTITUTED FLUORENYL CATALYSTS FOR POLYMERIZATION OF OLEFINS FINA TECHNOLOGY, INC. (US) 2012-04-19 US disclosed
US-8093418-B2 Metallocenes; for production of ethylene/propylene homo-/copolymers FINA TECHNOLOGY, INC. (US) 2012-01-10 US disclosed
EP-1915401-A2 PREPARATION AND USE OF TETRASUBSTITUTED FLUORENYL CATALYSTS FOR POLMERIZATION OF OLEFINS FINA TECHNOLOGY, INC. (US) 2008-04-30 EP disclosed
US-7335711-B2 Preparation and use of tetrasubstituted fluorenyl catalysts for polymerization of olefins FINA TECHNOLOGY, INC. (US) 2008-02-26 US disclosed
US-20080026935-A1 Preparation and Use of Tetrasubstituted Fluorenyl Catalysts for Polymerization of Olefins FINA TECHNOLOGY, INC. (US) 2008-01-31 US disclosed
WO-2007022244-A2 PREPARATION AND USE OF TETRASUBSTITUTED FLUORENYL CATALYSTS FOR POLMERIZATION OF OLEFINS FINA TECHNOLOGY, INC. (US) 2007-02-22 WO disclosed
US-20070043183-A1 Preparation and use of tetrasubstituted fluorenyl catalysts for polymerization of olefins FINA TECHNOLOGY, INC. 2007-02-22 US disclosed
CN-1079406-C Mesoscopic organopolysiloxane particles with chemically bonded metal compounds WACKER CHEMIE GMBH (DE) 2002-02-20 CN disclosed
US-6008309-A CROSSLINKED ORGANOPOLYSILOXANE PARTICLES OF UNIFORM PARTICLE SIZE DISTRIBUTION HAVING CHEMICALLY BONDED METALS, SOLUBLE IN ORGANIC SOLVENTS SUCH AS METHYLENE CHLORIDE, PENTANE, ACETONE, ETHANOL AND WATER; USE IN CATALYST SYSTEMS WACKER-CHEMIE GMBH (DE) 1999-12-28 US disclosed
CN-1198170-A Mesoscopic organopolysiloxane particles with chemically bonded metal compounds WACKER CHEMIE GMBH (DE) 1998-11-04 CN 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 (2 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-20130237719-A1 Preparation and Use of Tetrasubstituted Fluorenyl Catalysts for Polymerization of Olefins SFN, FANCF, B2M HTR2A 2488/4885GPR3 2696/4885DRD2 798/4885
US-20120095175-A1 PREPARATION AND USE OF TETRASUBSTITUTED FLUORENYL CATALYSTS FOR POLYMERIZATION OF OLEFINS PYM1, SFN, FANCF HTR2A 2852/4885GPR3 3611/4885DRD2 1240/4885

“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.