SCHEMBL4397555

SCHEMBL4397555

CCC(C)C(C)(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
TET2 Q6N021 1/20 0.32
KIF11 P52732 1/20 0.31
FFAR3 O14843 1/20 0.30
PIK3CD O00329 1/20 0.30

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
SCHEMBL28948545 1.00 TSHR (0.41) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL29799742 1.00 TSHR (0.41) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL1784246 0.80 ALDH1A1 (0.31) TSHRALDH1A1PIK3CD
SCHEMBL28985884 0.78 TSHR (0.39) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL1300987 0.78 TSHR (0.39) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL25269145 0.78 CA2 (0.47) CA2MAPK1
SCHEMBL9619838 0.77 TSHR (0.36) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL5369984 0.77 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL5718396 0.77 TSHR (0.36) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL1572815 0.77 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240397944-A1 METHODS FOR BIOFILM DISRUPTION Lixa Limited (AU) 2024-12-05 US disclosed
US-20240110101-A1 Ferroelectric liquid crystal (FLC) material and chiral compound SANMA ELETRON (HONG KONG) APPLIANCE COMPANY LIMITED (HK) 2024-04-04 US disclosed
EP-3661901-B1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEM CO (US) 2023-12-06 EP disclosed
CN-109996865-B Formation of alkenes by enzymatic dehydration of alkanols 布拉斯肯有限公司 2023-02-03 CN disclosed
CN-109312373-B Microorganisms and methods for co-production of ethylene glycol and three carbon compounds 布拉斯肯有限公司 2022-07-19 CN disclosed
US-10266467-B2 Synthesis of glycols via transfer hydrogenation of alpha-functional esters with alcohols EASTMAN CHEMICAL COMPANY (US) 2019-04-23 US disclosed
US-20190039978-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEMICAL COMPANY (US) 2019-02-07 US disclosed
US-20150240272-A1 LACTATE PRODUCTION PROCESS PLAXICA LIMITED (GB) 2015-08-27 US disclosed
WO-2014045036-A1 LACTATE PRODUCTION PROCESS PLAXICA LIMITED (GB) 2014-03-27 WO disclosed
EP-1961739-B1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION JSR CORP (JP) 2012-10-17 EP disclosed
US-8273837-B2 Compound, polymer, and resin composition JSR CORPORATION (JP) 2012-09-25 US disclosed
US-20090318652-A1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION JSR CORPORATION (JP) 2009-12-24 US disclosed
US-20090305161-A1 LIQUID IMMERSION LITHOGRAPHY JSR CORPORATION (JP) 2009-12-10 US disclosed
EP-1961739-A1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION JSR Corporation (JP) 2008-08-27 EP disclosed
EP-1953595-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP 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-20090318652-A1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION ERCC4, RAD51, RTF1 TSHR 4489/4885ALDH1A1 4177/4885HMGCR 4364/4885
US-20190039978-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS ADH1A, ADH1C, ADH5 TSHR 3066/4885ALDH1A1 270/4885HMGCR 287/4885
US-20240397944-A1 METHODS FOR BIOFILM DISRUPTION FGB, MMP8, HAO2 TSHR 4619/4885ALDH1A1 431/4885HMGCR 1193/4885
US-10266467-B2 Synthesis of glycols via transfer hydrogenation of alpha-functional esters with alcohols ADH1A, ADH1C, ADH5 TSHR 3066/4885ALDH1A1 270/4885HMGCR 287/4885
US-20240110101-A1 Ferroelectric liquid crystal (FLC) material and chiral compound CRY1, CRY2, NOTCH4 TSHR 1824/4885ALDH1A1 4878/4885HMGCR 1339/4885

“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.