SCHEMBL44545

SCHEMBL44545

O=C1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 1.00
MAOB P27338 6/20 1.00
CYP2A6 P11509 1/20 1.00
CES1 P23141 2/20 0.56
PRKCI P41743 1/20 0.53
GRM5 P41594 1/20 0.53
MAPT P10636 3/20 0.50
MIF P14174 2/20 0.50
TSHR P16473 1/20 0.48
HSD17B1 P14061 1/20 0.47
PDPK1 O15530 1/20 0.47
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
BCHE P06276 1/20 0.46
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL29351871 1.00 MAOA (1.00) MAOAMAOBCYP2A6CES1PRKCI
SCHEMBL31385562 0.98 MAOA (0.95) MAOAMAOBCYP2A6CES1PRKCI
Methane SCHEMBL28944934 0.98 MAOA (0.95) MAOAMAOBCYP2A6CES1PRKCI
SCHEMBL5050048 0.96 MAOA (0.91) MAOAMAOBCYP2A6CES1PRKCI
SCHEMBL10456794 0.96 MAOA (0.91) MAOAMAOBCYP2A6CES1PRKCI
SCHEMBL18607288 0.95 MAOA (0.91) MAOAMAOBCYP2A6CES1PRKCI
SCHEMBL29766301 0.95 MAOA (0.91) MAOAMAOBCYP2A6CES1PRKCI
SCHEMBL20445627 0.95 MAOA (0.91) MAOAMAOBCYP2A6CES1PRKCI
SCHEMBL18716863 0.95 MAOA (0.91) MAOAMAOBCYP2A6CES1PRKCI
SCHEMBL4573854 0.95 MAOA (0.91) MAOAMAOBCYP2A6CES1PRKCI

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

Appears in 7355 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624278-B2 Downhole methods and compositions used in such DORF KETAL CHEMICALS FZE (AE) 2026-05-12 US claimed
US-12577453-B2 Downhole methods and compositions used in such DORF KETAL CHEMICALS FZE (AE) 2026-03-17 US claimed
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2026-01-29 US claimed
US-12497557-B2 Methods for stimulating a hydrocarbon-bearing formation by perforating a wellbore and introducing an acidic composition in the wellbore DORF KETAL CHEMICALS FZE (AE) 2025-12-16 US claimed
CN-120025240-A Synthesis method of alpha-methyl ketone 极致生物技术(杭州)有限公司 2025-05-23 CN claimed
CN-115894146-B Synthesis method of 3-bromo-1-phenyl naphthalene 上海固创化工新材料有限公司 2025-05-06 CN claimed
CN-115448936-B N, O-heterocyclic compound and synthesis and application thereof 三峡大学 2025-03-28 CN claimed
CN-119684105-A N-phenyl isatin-mediated ketone-carboxylic acid conversion reaction method 贵州医科大学 2025-03-25 CN claimed
CN-116354829-B Preparation method and application of pentyenediamine adipate 中国科学院长春应用化学研究所 2025-02-07 CN claimed
CN-119306662-A Method for constructing molten pyridine compound by copper-catalyzed [2+1+3] cyclization reaction of cyclic ketone with alpha, beta-unsaturated aldehyde/ketone and ammonium iodide 湖南大学 2025-01-14 CN claimed
US-4694029-A BLEND OF POLYMERIZABLE EPOXY MATERIAL, UNSATURATED ESTER, CANTIONIC SULFONIUM PHOTOINITIATOR AND ALCOHOL PROMOTER COOK PAINT AND VARNISH COMPANY (US) 1987-09-15 US claimed
EP-0093892-B1 PROCESS FOR PREPARING AROMATIC AMINES HOECHST AKTIENGESELLSCHAFT (DE) 1986-05-28 EP claimed
US-4493904-A COORDINATION, POLYMERIZATION CATALYST CONTAINING TITANIUM TRICHORI CONOCO INC. (US) 1985-01-15 US claimed
US-4469609-A OXIDATION RESISTANCE UNIROYAL, INC. (US) 1984-09-04 US claimed
EP-0096006-A2 3-(Ureidocyclohexylamino)-propane-1,2-diol derivatives, process for their preparation, pharmaceutical preparations containing these compounds and their therapeutical use CIBA-GEIGY AG (CH) 1983-12-07 EP claimed
EP-0089023-A1 Stabilizer systems useful in lubricating oils and method for stabilizing lubricating oils UNIROYAL, INC. (US) 1983-09-21 EP claimed
US-4374979-A Regiospecific synthesis of anthracyclinone compounds such as daunomycinone THE UNIVERSITY OF KANSAS ENDOWMENT ASSOCIATION (US) 1983-02-22 US claimed
EP-0063945-A1 Process for the regiospecific synthesis of anthracyclinone compounds such as daunomycinone THE UNIVERSITY OF KANSAS (US) 1982-11-03 EP claimed
US-4175098-A OXIDIZING TETRALIN USING BINARY CATALYST OF COBALT OR CHROMIUM COMPOUND AND ACYCLIC TERTIARY AMIDE DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1979-11-20 US claimed
US-3935282-A DEHYDROGENATION OF ALPHA-TETRALONE, PLATINUM OR PALLADIUM COMPOUND, ALKALI METAL SALT, MANGANESE OR CHROMIUM COMPOUND CATALYST SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-01-27 US claimed