SCHEMBL2585151

SCHEMBL2585151

O=C1CCCCc2cc(F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.59
MAOB P27338 9/20 0.59
PRKCI P41743 1/20 0.56
HSD17B1 P14061 2/20 0.50
MAPK14 Q16539 3/20 0.49
CYP2A6 P11509 1/20 0.48
GRM5 P41594 1/20 0.47
SRD5A1 P18405 2/20 0.46
BAZ2B Q9UIF8 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FFAR4 Q5NUL3 1/20 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
SCHEMBL315877 0.96 MAOA (0.61) MAOAMAOBPRKCIHSD17B1MAPK14
SCHEMBL29726050 0.88 CASP1 (0.59) MAOAMAOBPRKCIHSD17B1GRM5
SCHEMBL192610 0.88 CASP1 (0.59) MAOAMAOBPRKCIHSD17B1GRM5
SCHEMBL4017169 0.84 PARP1 (0.53) MAOAMAOBPRKCIHSD17B1MAPK14
SCHEMBL7506302 0.82 HSD17B1 (0.71) MAOAMAOBPRKCIHSD17B1MAPK14
SCHEMBL7507475 0.81 HSD17B1 (0.56) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL769238 0.80 MAOA (0.53) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL29446042 0.80 MAOA (0.53) MAOAMAOBPRKCIHSD17B1CYP2A6
Hydrochloric Acid SCHEMBL9827967 0.79 MAOA (0.48) MAOAMAOBPRKCIHSD17B1MAPK14
SCHEMBL4428197 0.78 PARP10 (0.61) MAOAMAOBPRKCIHSD17B1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746064-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACUTE BRAIN INJURY UNIV COPENHAGEN (DK) 2025-04-16 EP disclosed
US-20240391865-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY OTAGO INNOVATION LIMITED (NZ) 2024-11-28 US disclosed
US-12077495-B2 Compounds for the treatment of acute brain injury Københavns Universitet (DK) 2024-09-03 US disclosed
US-20210122700-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY UNIVERSITY OF OTAGO (NZ) 2021-04-29 US disclosed
US-9520574-B2 Electroluminescent devices based on phosphorescent iridium and related group VIII metal multicyclic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-12-13 US disclosed
US-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-04-04 US disclosed
EP-2564446-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS Commonwealth Scientific and Industrial Research Organisation (AU) 2013-03-06 EP disclosed
WO-2011134013-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-03 WO disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 EP disclosed
US-6316437-B1 ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. 2001-11-13 US disclosed
US-4977152-A For alzheimer*s disease SOCIETE ANONYME: SANOFI (FR) 1990-12-11 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 (5 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 MAOA 2342/4885MAOB 1866/4885PRKCI 1124/4885
US-12077495-B2 Compounds for the treatment of acute brain injury F2R, F2RL3, ARG2 MAOA 925/4885MAOB 620/4885PRKCI 3411/4885
US-20210122700-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY F2R, F2RL3, ARG2 MAOA 922/4885MAOB 654/4885PRKCI 3384/4885
US-20240391865-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY F2R, F2RL3, ARG2 MAOA 922/4885MAOB 654/4885PRKCI 3384/4885
US-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS ICOSLG, ETV6, ROS1 MAOA 2542/4885MAOB 2970/4885PRKCI 1700/4885

“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.