SCHEMBL795334

SCHEMBL795334

Cl[Zr](Cl)(C1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL137961 0.85 HTR2A (0.38) HTR6HTR2ACYP2D6
SCHEMBL7941885 0.83 HTR2A (0.36) HTR6HTR2ACYP2D6
SCHEMBL4445268 0.82 HTR2A (0.35) HTR6HTR2ACYP2D6
Ethylene SCHEMBL2231954 0.82 HTR2A (0.35) HTR6HTR2A
SCHEMBL7598103 0.79 KDM4E (0.36) HTR6HTR2ACYP2D6
Propane SCHEMBL22261431 0.79 HTR2A (0.37) HTR6HTR2ACYP2D6
SCHEMBL4453772 0.79 HTR2A (0.33) HTR6HTR2ACYP2D6
SCHEMBL7643308 0.78
SCHEMBL550007 0.77 HTR2A (0.38) HTR6HTR2ACYP2D6
SCHEMBL852454 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528287-B1 Bridged chiral metallocenes, process for their preparation and their use as catalysts TARGOR GMBH (DE) 1998-11-11 EP claimed
US-8785671-B2 6,13-dihalogen-5,14-dihydropentacene derivative and method for producing 6,13-substituted-5,14-dihydropentacene derivative using same NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2014-07-22 US disclosed
US-20130079530-A1 6,13-DIHALOGEN-5,14-DIHYDROPENTACENE DERIVATIVE AND METHOD FOR PRODUCING 6,13-SUBSTITUTED-5,14-DIHYDROPENTACENE DERIVATIVE USING SAME NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY 2013-03-28 US disclosed
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP disclosed
US-7901594-B2 Electroconductivity JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2011-03-08 US disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
EP-0927201-B1 CATALYST SYSTEM FOR (CO)POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PREPARATION OF OLEFIN (CO)POLYMERS USING THE CATALYST SYSTEM HYUNDAI PETROCHEMICAL CO LTD (KR) 2004-04-14 EP disclosed
US-6586554-B1 Polyarylene and method for production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-07-01 US disclosed
US-20030116755-A1 Polyacene derivatives and production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-06-26 US disclosed
EP-1262469-A1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-12-04 EP disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 EP disclosed
EP-0927201-A1 CATALYST SYSTEM FOR (CO)POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PREPARATION OF OLEFIN (CO)POLYMERS USING THE CATALYST SYSTEM Hyundai Petrochemical Co., Ltd. (KR) 1999-07-07 EP disclosed
WO-1998009996-A1 CATALYST SYSTEM FOR (CO)POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PREPARATION OF OLEFIN (CO)POLYMERS USING THE CATALYST SYSTEM HYUNDAI PETROCHEMICAL CO., LTD. (KR) 1998-03-12 WO disclosed
US-5646083-A Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM N.V. (NL) 1997-07-08 US disclosed
US-5391789-A Bridged, chiral metallocenes, processes for their preparation and their use as catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-21 US 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-20130079530-A1 6,13-DIHALOGEN-5,14-DIHYDROPENTACENE DERIVATIVE AND METHOD FOR PRODUCING 6,13-SUBSTITUTED-5,14-DIHYDROPENTACENE DERIVATIVE USING SAME DHCR7, DHCR24, DHPS HTR6 957/4885HTR2A 1092/4885CYP2D6 15/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 HTR6 1901/4885HTR2A 1503/4885CYP2D6 820/4885

“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.