SCHEMBL647982

SCHEMBL647982

PCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.60
HTR2A P28223 6/20 0.60
SIGMAR1 Q99720 3/20 0.50
TAAR1 Q96RJ0 1/20 0.44
CYP19A1 P11511 3/20 0.43
KCNH2 Q12809 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SMPD1 P17405 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
CASR P41180 1/20 0.42

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
SCHEMBL5070184 0.93 HRH1 (0.58) HRH1HTR2ASIGMAR1TAAR1CYP19A1
SCHEMBL1415756 0.91 HRH1 (0.56) HRH1HTR2ASIGMAR1TAAR1CYP19A1
SCHEMBL17529779 0.91 HRH1 (0.56) HRH1HTR2ASIGMAR1TAAR1CYP19A1
SCHEMBL8860226 0.91 HRH1 (0.56) HRH1HTR2ASIGMAR1TAAR1CYP19A1
SCHEMBL647078 0.91 HRH1 (0.56) HRH1HTR2ASIGMAR1TAAR1CYP19A1
SCHEMBL23581510 0.91 HRH1 (0.56) HRH1HTR2ASIGMAR1TAAR1CYP19A1
Lithium Ion SCHEMBL8462012 0.86 HRH1 (0.47) HRH1HTR2ASIGMAR1GRM2GRM3
Hydrochloric Acid SCHEMBL8508090 0.86 HRH1 (0.47) HRH1HTR2ASIGMAR1CYP19A1GRM2
SCHEMBL258151 0.84 HRH1 (0.56) HRH1HTR2ASIGMAR1TAAR1KCNH2
SCHEMBL9073997 0.84 HRH1 (0.71) HRH1HTR2ASIGMAR1TAAR1CYP19A1

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 499 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
US-20200385570-A1 POLYCARBONATE COMPOSITIONS BASF SE (DE) 2020-12-10 US claimed
CN-105826596-B Preparation method of ionic liquid and secondary battery 微宏动力系统(湖州)有限公司 2020-11-06 CN claimed
EP-3710145-A1 POLYCARBONATE COMPOSITIONS BASF SE (DE) 2020-09-23 EP claimed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN claimed
CN-111328293-A Polycarbonate compositions 巴斯夫欧洲公司 2020-06-23 CN claimed
CN-107021941-B Ionic liquid and preparation method thereof 微宏动力系统(湖州)有限公司 2020-06-19 CN claimed
US-10411301-B2 Ionic liquids and preparation method thereof MICROVAST POWER SYSTEMS CO., LTD. (CN) 2019-09-10 US claimed
US-20170222266-A1 IONIC LIQUIDS AND PREPARATION METHOD THEREOF MICROVAST POWER SYSTEMS CO., LTD. (CN) 2017-08-03 US claimed
US-7288672-B2 Process for preparation of esters of hydroxy tiglic Aldehydes COUNCIL OF SCIENTIFIC & INDUSTRIUAL RESEARCH (IN) 2007-10-30 US claimed
US-5021380-A Contacting nickel/II/ compound with organophosphine and bidentate nitrogen-containing ligands and tertiary-alkyl organometallic compound in nonpolar ether solvent to form nickel/0/ species EASTMAN KODAK COMPANY (US) 1991-06-04 US claimed
US-4939309-A REACTING ARYL HALIDE WITH NICKEL-ORGANOPHOSPHINE-ORGANOMETAL-LIC-BIDENTATE LIGAND CATALYST EASTMAN KODAK COMPANY (US) 1990-07-03 US claimed
EP-0174174-B1 A METHOD OF STABILISING HYDROXY-CONTAINING POLYMERS OF BUTADIENE OR SUBSTITUTED DERIVATIVES THEREOF ELF ATOCHEM S.A. (FR) 1990-05-23 EP claimed
US-4593128-A Using a di- or triphenylphosphine compound ATLANTIC RICHFIELD COMPANY (US) 1986-06-03 US claimed
EP-0174174-A2 A method of stabilising hydroxy-containing polymers of butadiene or substituted derivatives thereof ELF ATOCHEM S.A. (FR) 1986-03-12 EP claimed
EP-0119899-B1 PROCESS FOR THE PREPARATION OF 4-PENTENOIC ACID DERIVATIVES ROUSSEL-UCLAF (FR) 1986-03-05 EP claimed
EP-0119899-A1 Process for the preparation of 4-pentenoic acid derivatives ROUSSEL-UCLAF (FR) 1984-09-26 EP claimed
US-4351969-A Preparation of chlorophenols RHONE-POULENC INDUSTRIES (FR) 1982-09-28 US claimed
US-4151171-A CARBONYLATION, HYDROLYSIS, DECARBONYLATION, CYCLIZATION CHEVRON RESEARCH COMPANY (US) 1979-04-24 US claimed
US-4113735-A Process for the production of N-acetyl-2-pyrrolidone CHEVRON RESEARCH COMPANY (US) 1978-09-12 US claimed

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-20170222266-A1 IONIC LIQUIDS AND PREPARATION METHOD THEREOF DNMT3A, SOD1, CLK2 HRH1 4608/4885HTR2A 3917/4885SIGMAR1 4192/4885
US-10411301-B2 Ionic liquids and preparation method thereof DNMT3A, SOD1, CLK2 HRH1 4608/4885HTR2A 3917/4885SIGMAR1 4192/4885

“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.