SCHEMBL638422

SCHEMBL638422

CC(Cc1ccccc1)C(C)(O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.47
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
TRPA1 O75762 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A2 P23975 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3273344 0.83 NPC1 (0.50) NPC1RAB9ACYP1A2ALPIPKM
SCHEMBL28365111 0.81 CYP1A2 (0.47) NPC1RAB9ACYP1A2ALPIPKM
SCHEMBL28369622 0.81 CYP1A2 (0.47) NPC1RAB9ACYP1A2ALPIPKM
SCHEMBL2032921 0.81 CYP1A2 (0.47) NPC1RAB9ACYP1A2ALPIPKM
SCHEMBL28365113 0.81 CYP1A2 (0.47) NPC1RAB9ACYP1A2ALPIPKM
SCHEMBL30445144 0.81 CYP1A2 (0.47) NPC1RAB9ACYP1A2ALPIPKM
SCHEMBL20394045 0.81 CYP1A2 (0.52) NPC1RAB9ACYP1A2ALPIPKM
SCHEMBL17093338 0.81 CYP1A2 (0.47) NPC1RAB9ACYP1A2ALPIPKM
SCHEMBL28216354 0.80 TAAR1 (0.50) NPC1RAB9ACYP1A2TRPA1SLC6A2
SCHEMBL27644703 0.80 NPC1 (0.47) NPC1RAB9ACYP1A2ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658802-A1 PROCESS FOR MAKING DRIMANE ALDEHYDES Firmenich SA (CH) 2025-12-10 EP disclosed
US-20250361531-A1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS AGAIN BIO APS (DK) 2025-11-27 US disclosed
US-12312627-B2 Microorganisms and methods for production of 4-hydroxybutyrate, 1,4-butanediol and related compounds GENOMATICA, INC. (US) 2025-05-27 US disclosed
EP-4414451-A2 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4 HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS Genomatica, Inc. (US) 2024-08-14 EP disclosed
WO-2024160757-A1 PROCESS FOR MAKING DRIMANE ALDEHYDES FIRMENICH SA (CH) 2024-08-08 WO disclosed
EP-2989113-B1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS GENOMATICA INC (US) 2024-04-10 EP disclosed
US-11932845-B2 Microorganisms and methods for production of 4-hydroxybutyrate, 1,4-butanediol and related compounds GENOMATICA, INC. (US) 2024-03-19 US disclosed
US-11753222-B2 Powdered pouch and method of making same MONOSOL, LLC (US) 2023-09-12 US disclosed
US-20230159979-A1 TRANSDUCERS, NANOPARTICLE TRANSDUCER DEVICES AND SYSTEMS, AND RELATED METHODS OF USE UNIVERSITY OF WASHINGTON (US) 2023-05-25 US disclosed
US-20230134936-A1 COMPOSITIONS AND METHODS FOR THE BIOSYNTHESIS OF 1,4-BUTANEDIOL AND ITS PRECURSORS GENOMATICA INC (US) 2023-05-04 US disclosed
US-7947483-B2 Methods and organisms for the growth-coupled production of 1,4-butanediol GENOMATICA, INC. (US) 2011-05-24 US disclosed
US-7858350-B2 Microorganisms for the production of 1,4-butanediol GENOMATICA, INC. (US) 2010-12-28 US disclosed
US-20100112654-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AGAIN BIO APS (DK) 2010-05-06 US disclosed
US-20100011456-A1 Nucleic Acids and Proteins and Methods for Making and Using Them VERENIUM CORPORATION (US) 2010-01-14 US disclosed
EP-2137315-A2 COMPOSITIONS AND METHODS FOR THE BIOSYNTHESIS OF 1,4-BUTANEDIOL AND ITS PRECURSORS Genomatica, Inc. (US) 2009-12-30 EP disclosed
US-20090075351-A1 COMPOSITIONS AND METHODS FOR THE BIOSYNTHESIS OF 1,4-BUTANEDIOL AND ITS PRECURSORS AGAIN BIO APS (DK) 2009-03-19 US disclosed
US-20090047719-A1 Methods and organisms for the growth-coupled production of 1,4-butanediol AGAIN BIO APS (DK) 2009-02-19 US disclosed
WO-2008115840-A2 COMPOSITIONS AND METHODS FOR THE BIOSYNTHESIS OF 1,4-BUTANEDIOL AND ITS PRECURSORS GENOMATICA, INC. (US) 2008-09-25 WO disclosed
EP-1373889-A2 BIOSENSORS, REAGENTS AND DIAGNOSTIC APPLICATIONS OF DIRECTED EVOLUTION Maxygen, Inc. (US) 2004-01-02 EP disclosed
WO-2002010750-A2 BIOSENSORS, REAGENTS AND DIAGNOSTIC APPLICATIONS OF DIRECTED EVOLUTION MAXYGEN, INC. (US) 2002-02-07 WO 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 (2 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-20250361531-A1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS HSD17B10, HSD17B12, HADHB NPC1 3614/4885RAB9A 4729/4885CYP1A2 411/4885
US-20100011456-A1 Nucleic Acids and Proteins and Methods for Making and Using Them POLN, POLM, POLI NPC1 2937/4885RAB9A 4697/4885CYP1A2 4344/4885

“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.