SCHEMBL137555

SCHEMBL137555

CC1=Cc2c(-c3c4ccccc4cc4ccccc34)cccc2C1[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3c4ccccc4cc4ccccc34)cccc21)[SiH](C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL144200 0.88 HSD11B1 (0.32)
SCHEMBL7906404 0.88
SCHEMBL5952566 0.88 ALDH1A1 (0.33)
SCHEMBL137885 0.86 ENPP3 (0.32)
SCHEMBL139229 0.86 HTR1A (0.32) HTR1AHTR7CES1
SCHEMBL27946709 0.85 HTR1A (0.31) HTR1AHTR7CES1
SCHEMBL691188 0.84
SCHEMBL139103 0.84 HTR1A (0.31) HTR1AHTR7CES1
SCHEMBL1238160 0.83 HTR1A (0.33) HTR1AHTR7CES1
SCHEMBL27929413 0.83 HTR1A (0.30) HTR1AHTR7

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
EP-0629632-B2 Polypropylene MITSUI CHEMICALS INC (JP) 2015-01-21 EP disclosed
EP-2415792-B1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING SAME MITSUI CHEMICALS INC (JP) 2014-11-12 EP disclosed
CN-102356100-B Copolymer of olefin and conjugated diene and preparation method thereof MITSU CHEMICALS INC 2014-01-08 CN disclosed
US-8513368-B2 Copolymer of olefin and conjugated diene, and process for producing the same MITSUI CHEMICALS, INC. (JP) 2013-08-20 US disclosed
US-20120059135-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS, INC. (JP) 2012-03-08 US disclosed
EP-2415792-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING SAME Mitsui Chemicals, Inc. (JP) 2012-02-08 EP disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
EP-1070729-A2 Transition metal compound, olefin polymerization catalyst component comprising said compound, olefin polymerization catalyst containing said component, process for olefin polymerization using said catalyst, propylene homopolymer, propylene copolymer and propylene elastomer Mitsui Chemicals, Inc. (JP) 2001-01-24 EP disclosed
EP-0629632-B1 Polypropylene MITSUI CHEMICALS INC (JP) 2000-10-04 EP disclosed
US-5936053-A RIGIDITY, HEAT RESISTANCE, IMPACT STRENGTH; LOW PROPORTION OF INVERSELY INSERTED PROPYLENE UNITS MITSUI CHEMICALS, INC. (JP) 1999-08-10 US disclosed
US-5723640-A Transition metal compound having indenyl-containing metallocene MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-03 US disclosed
US-5710223-A COORDINATION POLYMERIZATION CATALYSTS FOR PROPYLENE HOMOPOLYMERS AND COPOLYMERS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1998-01-20 US disclosed
US-5705584-A COORDINATION CATALYSTS FOR ADDITION POLYMERIZATION OF PROPYLENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
EP-0812854-A2 Novel transition metal compound, olefin polymerization catalyst comprising said compound, process for olefin polymerization using said catalyst and propylene homo- and copolymer MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-12-17 EP disclosed
US-5658997-A USING ZIRCONIUM COMPOUND WITH ALUMINOXANE AND ORGANOALUMINUM COMPOUND MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-08-19 US disclosed
EP-0629632-A2 Novel transition metal compound for use as a polymerization catalyst MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 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 (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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A HTR1A 2570/4885HTR7 1861/4885CES1 3217/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR1A 2132/4885HTR7 2049/4885CES1 2736/4885

“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.