SCHEMBL4457311

SCHEMBL4457311

COc1ccc(C#Cc2ccc(Br)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.63
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KCNH2 Q12809 1/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL674764 0.88 APP (0.77) APPMAPTRAB9AMAPK1NPSR1
SCHEMBL10300057 0.88 APP (0.77) APPMAPTRAB9AMAPK1NPSR1
SCHEMBL9715639 0.85 APP (0.74) APPMAPTRAB9AMAPK1NPSR1
SCHEMBL9301 0.85
Phosphine SCHEMBL9754815 0.83 CA1 (0.65) MEN1MAPTKMT2ARAB9AMAPK1
SCHEMBL5466009 0.83 CA1 (0.65) MEN1MAPTKMT2ARAB9AMAPK1
Bromomethane SCHEMBL9702151 0.83 CA1 (0.65) MEN1MAPTKMT2ARAB9AMAPK1
SCHEMBL10605468 0.83 CA1 (0.65) MEN1MAPTKMT2ARAB9AMAPK1
Magnesium SCHEMBL31191739 0.83 CA1 (0.65) MEN1MAPTKMT2ARAB9AMAPK1
SCHEMBL109479 0.83 CA1 (0.65) MEN1MAPTKMT2ARAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108840785-B Alkyne compound and synthesis method and application thereof 广东工业大学 2021-08-13 CN disclosed
EP-2691404-B1 USE OF COBALT COMPLEXES FOR THE PREPARATION OF THE ACTIVE LAYER OF A PHOTVOLTAIC CELL, AND CORRESPONDING PHOTOVOLTAIC CELL CENTRE NAT RECH SCIENT (FR) 2015-05-06 EP disclosed
US-20140290745-A1 USE OF COBALT COMPLEXES FOR PREPARING AN ACTIVE LAYER IN A PHOTOVOLTAIC CELL, AND CORRESPONDING PHOTOVOLTAIC CELL UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2014-10-02 US disclosed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US disclosed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US disclosed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US disclosed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US disclosed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 EP disclosed
EP-1675813-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES Applied Research Systems ARS Holding N.V. (NL) 2006-07-05 EP disclosed
WO-2005037758-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-04-28 WO disclosed
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed
US-5015417-A Electrooptical apparatus, liquid crystals, modulators E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US disclosed
EP-0306505-A1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1989-03-15 EP disclosed
WO-1988007523-A1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO 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-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes TNNC1, CPT1B, MUSK APP 833/4885MEN1 2106/4885MAPT 4533/4885

“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.