SCHEMBL625599

SCHEMBL625599

COC=CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ARG2 P78540 1/20 0.47
IDO1 P14902 1/20 0.39
TOP1 P11387 1/20 0.39
LTA4H P09960 1/20 0.39
TP53 P04637 1/20 0.39
AGXT P21549 1/20 0.38
KCNH2 Q12809 2/20 0.38
TSHR P16473 2/20 0.37
CALM1 P0DP23 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1781025 1.00 MAOB (0.61) MAOBCA1CA2ARG2IDO1
SCHEMBL10864400 0.88 IDO1 (0.47) MAOBCA1CA2ARG2IDO1
SCHEMBL27597502 0.87 MAOB (0.47) MAOBCA1CA2ARG2IDO1
SCHEMBL217134 0.81 MAOB (0.67) MAOBCA1CA2ARG2IDO1
SCHEMBL1975588 0.81 MAOB (0.67) MAOBCA1CA2ARG2IDO1
SCHEMBL2512151 0.80 ATM (0.50) HTTATMALDH1A1
SCHEMBL5021267 0.80 TP53 (0.37) MAOBCA2IDO1TP53TSHR
SCHEMBL1781780 0.80 AGXT (0.45) MAOBCA1CA2IDO1TP53
SCHEMBL1784538 0.80 TP53 (0.37) MAOBCA2IDO1TP53TSHR
SCHEMBL5021265 0.80 AGXT (0.45) MAOBCA1CA2IDO1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528960-A Method for preparing allylsilane compound through enol ether double bond displacement 成都泰和伟业生物科技有限公司 2025-02-28 CN disclosed
CN-118166369-A Electrochemical synthesis method of E-type styrene derivative 华东师范大学 2024-06-11 CN disclosed
EP-2995950-B1 METHOD RELATING TO SWEETNESS ENHANCEMENT GIVAUDAN SA (CH) 2024-01-17 EP disclosed
CN-116535418-A Synthesis method and application of chiral N- (1-substituted-allyl) amine 西安交通大学 2023-08-04 CN disclosed
US-20230045522-A1 COMPOSITIONS AND METHODS TO MODULATE GLUCOSE HOMEOSTASIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-02-09 US disclosed
CN-111087352-B Preparation method of 3-trifluoroalkyl quinoxalinone compound 曲阜师范大学 2022-12-20 CN disclosed
CN-112142680-B Method for synthesizing 3-trifluoroalkyl quinoxalinone by visible light catalysis 曲阜师范大学 2022-11-25 CN disclosed
WO-2021113473-A1 COMPOSITIONS AND METHODS TO MODULATE GLUCOSE HOMEOSTASIS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2021-06-10 WO disclosed
US-10647733-B2 Metal-organic frameworks containing nitrogen-donor ligands for efficient catalytic organic transformations THE UNIVERSITY OF CHICAGO (US) 2020-05-12 US disclosed
CN-111087352-A Preparation method of 3-trifluoroalkyl quinoxalinone compound 曲阜师范大学 2020-05-01 CN disclosed
US-20030176440-A1 Aralkyl substituted piperazine compounds CV THERAPEUTICS, INC. 2003-09-18 US disclosed
US-6552023-B2 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life CV THERAPEUTICS, INC. 2003-04-22 US disclosed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP disclosed
US-20010041704-A1 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life CV THERAPEUTICS, INC. 2001-11-15 US disclosed
US-20010036961-A1 Substituted alkylene diamine compounds CV THERAPEUTICS, INC. 2001-11-01 US disclosed
WO-2001066097-A2 ACTIVE SUBSTANCE DIRECTED AGAINST MICROBES OF THE GENUS PSEUDOMONAS DRAGOCO GERBERDING & CO. AG (DE) 2001-09-13 WO disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO disclosed
WO-2001062711-A2 SUBSTITUTED ALKYLENE DIAMINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO disclosed
US-5403863-A Scolytid repellant THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1995-04-04 US disclosed
US-4062862-A MUSCLE RELAXANT NIPPON CHEMIPHAR CO., LTD. (JA) 1977-12-13 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-10647733-B2 Metal-organic frameworks containing nitrogen-donor ligands for efficient catalytic organic transformations NCLN, MDH1, NNMT MAOB 1387/4885CA1 1109/4885CA2 1227/4885
US-20010041704-A1 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life TNNC1, ATP2A1, ATP2A2 MAOB 3240/4885CA1 3238/4885CA2 1466/4885
US-20010036961-A1 Substituted alkylene diamine compounds TNNC1, CPT1B, TNNI3 MAOB 2112/4885CA1 2296/4885CA2 1907/4885
US-20230045522-A1 COMPOSITIONS AND METHODS TO MODULATE GLUCOSE HOMEOSTASIS GCKR, G6PC1, GPR119 MAOB 4866/4885CA1 2816/4885CA2 1158/4885
US-20030176440-A1 Aralkyl substituted piperazine compounds ATP2A1, ATP2A3, ATP2A2 MAOB 3783/4885CA1 3996/4885CA2 2570/4885

“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.