SCHEMBL777693

SCHEMBL777693

[CH]1CCCCC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SLC18A3 Q16572 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
SIGMAR1 Q99720 2/20 0.35
RECQL P46063 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TSHR P16473 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2160450 1.00 ALDH1A1 (0.41) ALDH1A1GAASLC18A3MEN1KMT2A
SCHEMBL2157992 1.00 ALDH1A1 (0.41) ALDH1A1GAASLC18A3MEN1KMT2A
SCHEMBL11484818 0.98 SLC18A3 (0.40) ALDH1A1GAASLC18A3MEN1KMT2A
SCHEMBL779656 0.93 ALDH1A1 (0.38) ALDH1A1GAASLC18A3SIGMAR1RECQL
SCHEMBL1929909 0.80 SLC18A3 (0.41) ALDH1A1GAASLC18A3SIGMAR1TSHR
SCHEMBL17090732 0.79 BCHE (0.35) GAAMEN1KMT2ANOS1
SCHEMBL9067373 0.78
SCHEMBL20562176 0.78 ALDH1A1 (0.38) ALDH1A1GAASLC18A3MEN1KMT2A
SCHEMBL20562177 0.78 ALDH1A1 (0.38) ALDH1A1GAASLC18A3MEN1KMT2A
SCHEMBL777679 0.78 ATM (0.39) ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118810-A1 CYCLIC PYRAZOLE DIAMIDE IRE1/XBP1S ACTIVATORS PROTEGO BIOPHARMA, INC. (US) 2024-06-06 WO claimed
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 US claimed
CN-116615193-A Tumoxic acid monoester derivative as selective FABP5 inhibitor, pharmaceutical composition and application thereof 纽约州立大学研究基金会 2023-08-18 CN claimed
EP-4225292-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF The Research Foundation for The State University of New York (US) 2023-08-16 EP claimed
WO-2022076820-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-04-14 WO claimed
WO-2016011130-A1 COMPOSITIONS AND METHODS FOR THE PREPARATION OF 4-OXY-2-CYCLOHEXENONE AND 6-OXY-2-CYCLOHEXENONE COMPOUNDS NATIONAL TAIWAN UNIVERSITY (TW) 2016-01-21 WO claimed
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-17 US claimed
EP-1740587-A4 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS LLC (US) 2009-07-15 EP claimed
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US claimed
US-7456183-B2 Guanidino compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-25 US claimed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 WO claimed
US-5688990-A FORMING CHEMICAL INTERMEDIATES FOR AZETIDINONE COMPOUNDS THAT INHIBIT CHOLESTEROL BIOSYNTHESIS FOR PREVENTION OF ATHEROSCLEROSIS SHANKAR BANDARPALLE B (US) 1997-11-18 US claimed
EP-0751934-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1997-01-08 EP claimed
EP-0701552-A1 CONDENSED NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS, FUNGICIDES AND ANTIMYCOTICS Hoechst Schering AgrEvo GmbH (DE) 1996-03-20 EP claimed
WO-1995026334-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1995-10-05 WO claimed
WO-1994021613-A1 CONDENSED NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS, FUNGICIDES AND ANTIMYCOTICS HOECHST SCHERING AGREVO GMBH (DE) 1994-09-29 WO claimed
US-5312950-A Method for purification of alcohols EASTMAN KODAK COMPANY (US) 1994-05-17 US claimed
EP-0246196-B1 OPTICALLY ACTIVE IRIDIUM COMPLEXES, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1989-10-25 EP claimed
US-4851534-A ENANTIOSELECTIVE HYDROGENATION CATALYST CIBA-GEIGY CORPORATION (US) 1989-07-25 US claimed
EP-0246196-A1 Optically active iridium complexes, process for their preparation and their use CIBA-GEIGY AG (CH) 1987-11-19 EP 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 (3 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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B ALDH1A1 1012/4885GAA 290/4885SLC18A3 2305/4885
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 ALDH1A1 635/4885GAA 3742/4885SLC18A3 875/4885
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF FABP5, FABP1, FABP4 ALDH1A1 2048/4885GAA 3490/4885SLC18A3 2182/4885

“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.