SCHEMBL2166064

SCHEMBL2166064

O=C(O)CC(O)C=CCO

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.59
SLC22A6 Q4U2R8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
FOLH1 Q04609 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TET2 Q6N021 2/20 0.31
KDM4A O75164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
Acetic Acid SCHEMBL11109713 0.94 HDAC2 (0.53) HDAC2SLC22A6SMN1; SMN2GABRR1LMNA
SCHEMBL28946975 0.79 FPR2 (0.46) HDAC2FOLH1CYP2D6TET2KDM4A
SCHEMBL6326746 0.79 HDAC2 (0.57) HDAC2SLC22A6SMN1; SMN2LMNATDP1
SCHEMBL6326750 0.79 HDAC2 (0.57) HDAC2SLC22A6SMN1; SMN2LMNATDP1
SCHEMBL2065565 0.76 HDAC2 (0.63) HDAC2SLC22A6SMN1; SMN2GABRR1LMNA
SCHEMBL12601342 0.76 HDAC2 (0.63) HDAC2LMNAHDAC3HDAC1HDAC8
SCHEMBL2702155 0.76 HDAC2 (0.63) HDAC2SLC22A6SMN1; SMN2GABRR1LMNA
SCHEMBL63303 0.76 HDAC2 (0.53) HDAC2SLC22A6SMN1; SMN2GABRR1LMNA
SCHEMBL2518292 0.76 HDAC2 (0.63) HDAC2SLC22A6SMN1; SMN2GABRR1LMNA
SCHEMBL2065563 0.76 HDAC2 (0.63) HDAC2SLC22A6SMN1; SMN2GABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006024885-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) 2006-03-09 WO claimed
US-8383274-B2 Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein UBE INDUSTRIES, LTD. (JP) 2013-02-26 US disclosed
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2011-07-28 US disclosed
US-5223601-A Phenolic compounds containing/neutral fractions extract and products derived therefrom from fractionated fast-pyrolysis oils MIDWEST RESEARCH INSTITUTE VENTURES, INC. (US) 1993-06-29 US disclosed
EP-0022488-B1 PROCESS FOR THE PREPARATION OF BUTANE-DIOL DIACETATE BY CATALYTIC HYDROGENATION OF BUTENE-DIOL DIACETATE BASF Aktiengesellschaft (DE) 1982-01-20 EP disclosed
EP-0009741-B1 PROCESS FOR THE PREPARATION OF BUTENEDIOL DIESTERS BASF Aktiengesellschaft (DE) 1982-01-20 EP disclosed
EP-0012367-B1 METHOD FOR THE PREPARATION OF VINYLGLYCOL ESTERS BASF Aktiengesellschaft (DE) 1981-11-11 EP disclosed
EP-0010702-B1 PROCESS FOR THE MANUFACTURE OF BUTENEDIOL DIACETATES AND BUTANEDIOL FROM BUTADIENE BASF Aktiengesellschaft (DE) 1981-08-05 EP disclosed
EP-0004019-B1 PROCESS FOR THE PURIFICATION OF EPOXIDES BAYER AG (DE) 1981-07-29 EP disclosed
EP-0022488-A1 Process for the preparation of butane-diol diacetate by catalytic hydrogenation of butene-diol diacetate BASF Aktiengesellschaft (DE) 1981-01-21 EP disclosed
EP-0012367-A1 Method for the preparation of vinylglycol esters BASF Aktiengesellschaft (DE) 1980-06-25 EP disclosed
EP-0009741-A1 Process for the preparation of butenediol diesters BASF Aktiengesellschaft (DE) 1980-04-16 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 (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-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN HCN2, KCNN2, KCNB1 HDAC2 1485/4885SLC22A6 719/4885SMN1; SMN2 4507/4885

“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.