SCHEMBL4575392

SCHEMBL4575392

OCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.60
HTR2A P28223 6/20 0.60
SIGMAR1 Q99720 3/20 0.50
GRM2 Q14416 1/20 0.46
GRM3 Q14832 1/20 0.46
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CYP19A1 P11511 2/20 0.43

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
SCHEMBL5410942 0.93 HRH1 (0.58) HRH1HTR2ASIGMAR1GRM2GRM3
SCHEMBL5412370 0.91 HRH1 (0.56) HRH1HTR2ASIGMAR1GRM2GRM3
SCHEMBL1884939 0.89 LMNA (0.59) HRH1HTR2ASIGMAR1GRM2GRM3
SCHEMBL21855514 0.88 CYP19A1 (0.51) HRH1HTR2ASIGMAR1ALDH1A1LMNA
SCHEMBL128570 0.84 HRH1 (0.56) HRH1HTR2ASIGMAR1TRPA1ALDH1A1
SCHEMBL9073997 0.84 HRH1 (0.71) HRH1HTR2ASIGMAR1TAAR1CYP19A1
SCHEMBL2015445 0.83 ALDH1A1 (0.57) HRH1HTR2ASIGMAR1GRM2GRM3
SCHEMBL15355244 0.83 RIPK1 (0.55) TRPA1ALDH1A1LMNAHSD17B10
SCHEMBL2316371 0.83 RIPK1 (0.55) TRPA1ALDH1A1LMNAHSD17B10
SCHEMBL6520180 0.83 TRPA1 (0.44) HRH1HTR2ATRPA1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322345-A High-molecular-weight poly-delta-caprolactone and preparation method and application thereof 南京先进生物材料与过程装备研究院有限公司 2022-11-11 CN claimed
CN-117186129-A Method for preparing cis-allyl borate and allyl alcohol from cis/trans conjugated diene mixture 成都理工大学 2023-12-08 CN disclosed
CN-113425722-A Bitter taste receptor agonist and its application in preventing and treating SARS-CoV-2 related infectious disease 上海市浦东新区公利医院(第二军医大学附属公利医院) 2021-09-24 CN disclosed
WO-2021103059-A1 USE OF AROMATIC ALCOHOL AS SILK FIBROIN INDUCER AND METHOD FOR TREATING SILK FIBROIN 苏州丝美特生物技术有限公司 2021-06-03 WO disclosed
WO-2021104509-A1 METHOD FOR TREATING SILK FIBROIN WITH AROMATIC ALCOHOL AND USE THEREOF IN PREPARATION OF SILK-FIBROIN-CONTAINING MATERIAL 苏州丝美特生物技术有限公司 2021-06-03 WO disclosed
WO-2014159251-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-10-02 WO disclosed
US-7375224-B2 Adenine modified silica-based catalyst, a process for the preparation and use there for the production of cyclic carbonates COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-05-20 US disclosed
US-7365214-B2 Process for the preparation of cyclic carbonates COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-04-29 US disclosed
US-20070276146-A1 Adenine modified silica-based catalyst, a process for the preparation and use there for the production of cyclic carbonates COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-11-29 US disclosed
US-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed
EP-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
US-5767129-A TREATING CEREBROVASCULAR DISORDERS, PAIN, CEREBRAL ISCHEMIA WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 WO disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed
CN-1088577-A Novel multi-drug resistance modifiers VERTEX PHARMA (US) 1994-06-29 CN disclosed
EP-0561758-A2 Method of preparing optically active homo-beta-amino acids MONSANTO COMPANY (US) 1993-09-22 EP disclosed
EP-0376608-A2 Benzamide derivatives as antiarrhythmics ELI LILLY AND COMPANY (US) 1990-07-04 EP disclosed
EP-0115079-B1 SUBSTITUTED 1-((3-(AMINO)-PROPOXY)-PHENYL)-1-(PHENYL)-PROPAN-1-OLS, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-03-18 EP disclosed
EP-0114410-B1 SUBSTITUTED ALPHA-(ETHYL)-ALPHA-(PHENYL)-(OMEGA-(DIALKYLAMINO)-ALKOXY)-BENZYL ALCOHOLS, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION, AS WELL AS MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-05-14 EP disclosed
EP-0115080-B1 (OMEGA-(DIETHYLAMINO)-ALKOXY)-ALPHA-(ETHYL)-BENZHYDROL DERIVATIVES, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-04-16 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-20070276146-A1 Adenine modified silica-based catalyst, a process for the preparation and use there for the production of cyclic carbonates CA9, MCM5, CCNH HRH1 412/4885HTR2A 4018/4885SIGMAR1 3486/4885

“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.