.Beta.-Hydroxyisovaleric Acid

.Beta.-Hydroxyisovaleric Acid

SCHEMBL6773882

CC(C)(O)CC(=O)O.ClC(Cl)Cl

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.55
CHRM1 P11229 1/20 0.55
TBXA2R P21731 1/20 0.55
ADRA1A P35348 1/20 0.55
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.42
CPT2 P23786 2/20 0.41
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CD O00329 1/20 0.40
ACLY P53396 2/20 0.38

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.

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020082083-A1 METHODS AND COMPOSITIONS FOR LOCALIZED INTRADUCTAL DRUG DELIVERY TO THE BREAST AND REGIONAL LYMPH NODES SOUTH DAKOTA BOARD OF REGENTS (US) 2020-04-23 WO disclosed
US-20200121605-A1 METHODS AND COMPOSITIONS FOR LOCALIZED INTRADUCTAL DRUG DELIVERY TO THE BREAST AND REGIONAL LYMPH NODES SOUTH DAKOTA BOARD OF REGENTS (US) 2020-04-23 US disclosed
US-6743784-B2 TRIARYLETHANES FOR TREATING SYMPTOMS, DISEASES AND CONDITIONS IN EXTRA-REPRODUCTIVE TRACT TISSUES, SUCH AS OSTEOPENIA, THAT ARE RESPONSIVE TO TREATMENT WITH ESTROGEN THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2004-06-01 US disclosed
US-20020045664-A1 Estrogen mimetics lacking reproductive tract effects THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC 2002-04-18 US disclosed
US-6323190-B1 REPRODUCTIVE TRACT TISSUES AND CARDIOVASCULAR DISORDERS THE UNIVERISTY OF GEORGIA RESEARCH FOUNDATION, INC. 2001-11-27 US disclosed
US-5869319-A FACULTATIVE ANAEROBE WHICH PRODUCES 7-BETA-HYDROXY BILE ACIDS FROM SUBSTRATES HAVING 7-ALPHA-HYDROXY OR 7-KETO GROUPS FOR SAFE, SIMPLE, EFFICIENT COMMERCIAL PRODUCTION TOKYO TANABE COMPANY LIMITED (JP) 1999-02-09 US disclosed
EP-0872546-A1 NOVEL BILE ACID-CONVERTING MICROORGANISM TOKYO TANABE COMPANY LIMITED (JP) 1998-10-21 EP disclosed
US-4950428-A TWENTY KETO PREGNANES; PHARMACOLOGICAL PROPERTIES; STARTING MATERIALS FOR RECONSTRUCTION OF DEOXYCORTISONE CHAIN ROUSSEL UCLAF (FR) 1990-08-21 US disclosed
US-4847014-A CHEMICAL INTERMEDIATES, DEHYDROHALOGENATION ROUSSEL UCLAF (FR) 1989-07-11 US disclosed
US-4801697-A BRONCHODILATOR, MUSCLE RELAXANT, HORMONE EXCRETION STIMULANT TOYO JOZO KABUSHIKI KAISHA (JP) 1989-01-31 US disclosed
US-4711879-A IMMUNO-MODULATING ACTIVITY CIBA-GEIGY CORPORATION (US) 1987-12-08 US disclosed
US-4693998-A STIMULATE THE IMMUNE SYSTEM AGENCE NATIONALE DE VALORISATION DE LA RECHERSCHE (FR) 1987-09-15 US disclosed
US-4640911-A IMMUNOSTIMULANTS, VIRICIDES SUCH AS HERPES SIMPLEX CIBA-GEIGY CORPORATION (US) 1987-02-03 US disclosed
US-4595675-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-17 US disclosed
US-4548923-A IMMUNOSTIMULANTS, BACTERICIDES, VIRICIDES CIBA GEIGY CORPORATION (US) 1985-10-22 US disclosed
US-4423038-A Phosphoryl compounds, pharmaceutical preparations containing such compounds, and their use CIBA-GEIGY CORPORATION (US) 1983-12-27 US disclosed
US-4406889-A IMMUNOLOGY, PEPTIDES CIBA-GEIGY CORPORATION (US) 1983-09-27 US disclosed
EP-0003069-B1 PSEUDOMONIC ACID C, PHARMACEUTICALLY ACCEPTABLE SALTS OR ESTERS THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL OR VETERINARY COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1981-05-20 EP disclosed
US-4226880-A PSEUDOMONIC ACID C AND DERIVATIVES BEECHAM GROUP LIMITED (GB) 1980-10-07 US disclosed
US-4205002-A PSEUDOMONIC ACID C AND DERIVATIVES BEECHAM GROUP LIMITED (GB) 1980-05-27 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 (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-20200121605-A1 METHODS AND COMPOSITIONS FOR LOCALIZED INTRADUCTAL DRUG DELIVERY TO THE BREAST AND REGIONAL LYMPH NODES LDHB, LDHA, LIPA HMGCR 1165/4885CHRM1 4458/4885TBXA2R 4399/4885
US-20020045664-A1 Estrogen mimetics lacking reproductive tract effects ESR2, ESRRA, GPER1 HMGCR 571/4885CHRM1 155/4885TBXA2R 968/4885

“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.