SCHEMBL4004561

SCHEMBL4004561

C1=CC(CCC2C=Cc3ccccc32)c2ccccc21.[LiH].[LiH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.55
HTR2A P28223 2/20 0.43
SIGMAR1 Q99720 6/20 0.41
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NFKB1 P19838 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL8770696 1.00 HTR6 (0.55) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL668105 0.98 HTR6 (0.56) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL9860070 0.95 HTR6 (0.55) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL9144867 0.95 HTR6 (0.55) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL5604259 0.95 HTR6 (0.55) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL20952390 0.95 HTR6 (0.55) HTR6HTR2ASIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL29672904 0.93 HTR6 (0.53) HTR6HTR2ASIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7699824 0.93 HTR6 (0.53) HTR6HTR2ASIGMAR1KDM4ECYP2D6
Methylamine SCHEMBL28004018 0.91 HTR6 (0.56) HTR6HTR2ASIGMAR1KDM4ECYP2D6
SCHEMBL20211959 0.90 HTR6 (0.50) HTR6HTR2ASIGMAR1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619106-B2 Preparation of partially hydrogenated rac-ansa-metallocene complexes BASELL POLYOLEFINE GMBH (DE) 2009-11-17 US claimed
US-20080200708-A1 Preparation of Partially Hydrogenated Rac-Ansa-Metallocene Complexes BASELL POLYOLEFINE GMBH (DE) 2008-08-21 US claimed
EP-1554295-B1 PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2008-07-02 EP claimed
EP-1554295-A1 PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES Basell Polyolefine GmbH (DE) 2005-07-20 EP claimed
WO-2004037838-A1 PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-05-06 WO claimed
US-7619106-B2 Preparation of partially hydrogenated rac-ansa-metallocene complexes BASELL POLYOLEFINE GMBH (DE) 2009-11-17 US disclosed
EP-1556417-B1 RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS BASELL POLYOLEFINE GMBH (DE) 2009-06-10 EP disclosed
US-20080200708-A1 Preparation of Partially Hydrogenated Rac-Ansa-Metallocene Complexes BASELL POLYOLEFINE GMBH (DE) 2008-08-21 US disclosed
EP-1554295-B1 PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2008-07-02 EP disclosed
US-7160949-B2 Olefin block copolymers, processes for producing the same and uses thereof MITSUI CHEMICALS, INC. (JP) 2007-01-09 US disclosed
EP-1275670-B1 OLEFIN BLOCK COPOLYMERS, PRODUCTION PROCESSES OF THE SAME AND USE THEREOF MITSUI CHEMICALS INC (JP) 2005-08-10 EP disclosed
EP-1554295-A1 PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES Basell Polyolefine GmbH (DE) 2005-07-20 EP disclosed
WO-2004037838-A1 PREPARATION OF PARTIALLY HYDROGENATED RAC-ANSA-METALLOCENE COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-05-06 WO disclosed
US-20030055179-A1 Olefin block copolymers processes for producing the same and uses thereof MITSUI CHEMICALS, INC. (JP) 2003-03-20 US disclosed
EP-1275670-A1 OLEFIN BLOCK COPOLYMERS, PRODUCTION PROCESSES OF THE SAME AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-01-15 EP disclosed
EP-0452920-B1 Process for the preparation of an ethylene copolymer and an olefin polymer, and catalysts for olefin polymerization MITSUI CHEMICALS INC (JP) 2001-10-10 EP disclosed
US-5883205-A ETHYLENE POLYMERIZATION IN SUSPENSION OR VAPOR PHASE WITH CATALYST OF CYCLOPENTADIENE, TRANSITION METAL, ORGANOALUMINUM OXY COMPOUND MITSUI CHEMICALS, INC. (JP) 1999-03-16 US disclosed
US-5840815-A POLYMERIZING OLEFIN IN PRESENCE OF SOLID CATALYST FORMED FROM COMPOUND OF GROUP IVB METAL HAVING CYCLOPENTADIENE-BASED LIGANDS, ORGANOALUMINUM OXY-COMPOUND MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
EP-0462588-A2 Olefin block copolymer and method of producing same MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-12-27 EP disclosed
EP-0452920-A2 Process for the preparation of an ethylene copolymer and an olefin polymer, and catalysts for olefin polymerization MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-10-23 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-20080200708-A1 Preparation of Partially Hydrogenated Rac-Ansa-Metallocene Complexes HRAS, RAP1A, NBAS HTR6 2018/4885HTR2A 1313/4885SIGMAR1 1030/4885

“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.