SCHEMBL9201113

SCHEMBL9201113

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.61
CPT2 P23786 1/20 0.61
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL31390775 1.00 ACLY (0.61) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL28219381 0.86 ACLY (0.57) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2979037 0.79 CPT2 (0.53) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL260454 0.78 CPT2 (0.41) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL10535147 0.78 CPT2 (0.41) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL29482688 0.78 ACLY (0.64) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL722576 0.78 ACLY (0.64) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL10535133 0.78 CPT2 (0.41) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL3979316 0.77 ACLY (0.57) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL16753885 0.77 CPT2 (0.42) ACLYCPT2MEN1RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724307-B1 LAUNDRY SURFACTANTS HAVING INHERENT BUILDING CAPACITY DERIVED FROM BIO-BASED HYDROYACIDS AND EPOXIDES; AND PROCESS THEREFORE BATTELLE MEMORIAL INSTITUTE (US) 2025-07-16 EP claimed
WO-2020239083-A1 AEROSOL GENERATION OR SMOKING SYSTEM, OR ELECTRONIC CIGARETTE AND DEVICE THEREOF 钟术光 2020-12-03 WO claimed
EP-0426557-B1 Process for the preparation of 2-(3-pyridyl)-tetrahydrothiopyran-2-carbothiamide-1-(1R,2R)oxydes, the 2-(3-pyridyl)-tetrahydrothiopyran-2-carbothiamide-1-(1R,2R)oxydes and so obtained and pharmaceutical compositions containing them RHONE POULENC SANTE (FR) 1995-02-22 EP claimed
WO-2020239083-A1 AEROSOL GENERATION OR SMOKING SYSTEM, OR ELECTRONIC CIGARETTE AND DEVICE THEREOF 钟术光 2020-12-03 WO disclosed
CN-111602850-A Aerosol generating or aerosolization system or electronic cigarette and device thereof 钟术光 2020-09-01 CN disclosed
CN-110150760-A A kind of aerosol generation system 钟术光 2019-08-23 CN disclosed
CN-106139155-A The pharmaceutical carrier of slow-release 钟术光 2016-11-23 CN disclosed
CN-106074417-A The pharmaceutical carrier of slow-release 钟术光 2016-11-09 CN disclosed
CN-106075457-A The pharmaceutical carrier of slow-release 钟术光 2016-11-09 CN disclosed
CN-105854022-A Drug carrier capable of slowly releasing drug 钟术光 2016-08-17 CN disclosed
CN-102698277-B Drug carrier for sustained release of drug 钟术光 2016-08-03 CN disclosed
CN-103432091-A Improved-performance tablet and preparation method thereof ZHONG SHUGUANG 2013-12-11 CN disclosed
CN-102698277-A Drug carrier for sustained release of drug SHUGUANG ZHONG 2012-10-03 CN disclosed
US-20100152488-A1 High Purity (-) Hydroxycitric Acid Metal Salt Derivatives and Method of Preparation of the Same VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2010-06-17 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 (1 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-20100152488-A1 High Purity (-) Hydroxycitric Acid Metal Salt Derivatives and Method of Preparation of the Same HACL2, HKDC1, HIPK1 ACLY 1570/4885CPT2 2316/4885HSPD1 888/4885

“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.