SCHEMBL4594915

SCHEMBL4594915

OCCN(CCO)CCOCC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.31
AGTR1 P30556 1/20 0.31
CYP1A2 P05177 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
SCHEMBL5691789 0.81 USP2 (0.62) USP2LMNAHSD17B10CYP1A2
SCHEMBL17154471 0.80 USP2 (0.47) USP2ALDH1A1THRBLMNAHSD17B10
SCHEMBL5709862 0.79 HSD17B10 (0.50) ALDH1A1HSD17B10
Boric Acid SCHEMBL3479728 0.77 USP2 (0.57) USP2LMNAHSD17B10CYP1A2
SCHEMBL7697770 0.77
SCHEMBL269833 0.77
SCHEMBL4249632 0.77 USP2 (0.52) USP2ALDH1A1LMNAHSD17B10AGTR1
SCHEMBL9972863 0.77 USP2 (0.52) USP2ALDH1A1LMNAHSD17B10AGTR1
SCHEMBL4294793 0.77 TSHR (0.44) ALDH1A1LMNAHSD17B10CYP1A2
Trolamine SCHEMBL6524533 0.77 LMNA (0.56) ALDH1A1THRBLMNAHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765903-B1 POLYURETHANE CONTAINING A POLYOL COMPOSITION COMPRISING A HIGHLY BRANCHED POLYSACCHARIDE, MIX AND PROCESS FOR PREPARATION THEREOF DANISCO (DK) 2008-01-02 EP claimed
US-9932238-B2 Graphene and graphene oxide nano-environments for chemical reactions and atomic reformations PEERLESS WORLDWIDE, LLC (US) 2018-04-03 US disclosed
EP-3074488-A1 HYBRID SOLVENT FORMULATIONS FOR SELECTIVE H2S REMOVAL Dow Global Technologies LLC (US) 2016-10-05 EP disclosed
EP-3062912-A1 HYBRID SOLVENT FORMULATIONS FOR TOTAL ORGANIC SULFUR REMOVAL AND TOTAL ACIDIC GAS REMOVAL Dow Global Technologies LLC (US) 2016-09-07 EP disclosed
US-20150307971-A1 GRAPHENE AND GRAPHENE OXIDE NANO-ENVIRONMENTS FOR CHEMICAL REACTIONS AND ATOMIC REFORMATIONS PEERLESS WORLDWIDE, LLC (US) 2015-10-29 US disclosed
WO-2015065842-A1 HYBRID SOLVENT FORMULATIONS FOR TOTAL ORGANIC SULFUR REMOVAL AND TOTAL ACIDIC GAS REMOVAL DOW GLOBAL TECHNOLOGIES LLC (US) 2015-05-07 WO disclosed
WO-2015065839-A1 HYBRID SOLVENT FORMULATIONS FOR SELECTIVE H2S REMOVAL DOW GLOBLAL TECHNOLOGIES LLC (US) 2015-05-07 WO disclosed
US-9023308-B2 Facile synthesis of graphene, graphene derivatives and abrasive nanoparticles and their various uses, including as tribologically-beneficial lubricant additives PEERLESS WORLDWIDE, LLC (US) 2015-05-05 US disclosed
US-8865113-B2 Facile synthesis of graphene, graphene derivatives and abrasive nanoparticles and their various uses, including as tribologically-beneficial lubricant additives PEERLESS WORLDWIDE, LLC (US) 2014-10-21 US disclosed
US-20140227211-A1 FACILE SYNTHESIS OF GRAPHENE, GRAPHENE DERIVATIVES AND ABRASIVE NANOPARTICLES AND THEIR VARIOUS USES, INCLUDING AS TRIBOLOGICALLY-BENEFICIAL LUBRICANT ADDITIVES PEERLESS WORLDWIDE, LLC (US) 2014-08-14 US disclosed
US-20140134092-A1 FACILE SYNTHESIS OF GRAPHENE, GRAPHENE DERIVATIVES AND ABRASIVE NANOPARTICLES AND THEIR VARIOUS USES, INCLUDING AS TRIBOLOGICALLY-BENEFICIAL LUBRICANT ADDITIVES SHANKMAN RICHARD S (US) 2014-05-15 US disclosed
EP-2686271-A1 FACILE SYNTHESIS OF GRAPHENE, GRAPHENE DERIVATIVES AND ABRASIVE NANOPARTICLES AND THEIR VARIOUS USES, INCLUDING AS TRIBOLOGICALLY-BENEFICIAL LUBRICANT ADDITIVES Peerless Worldwide, LLC (US) 2014-01-22 EP disclosed
US-8540885-B2 Use of alkoxylated polyalkanolamines for splitting oil-water emulsions BASF SE (DE) 2013-09-24 US disclosed
WO-2012125854-A1 FACILE SYNTHESIS OF GRAPHENE, GRAPHENE DERIVATIVES AND ABRASIVE NANOPARTICLES AND THEIR VARIOUS USES, INCLUDING AS TRIBOLOGICALLY-BENEFICIAL LUBRICANT ADDITIVES PEERLESS WORLDWIDE, LLC (US) 2012-09-20 WO disclosed
CN-101965219-A Use of alkoxylated polyalkanolamines for demulsifying oil-water emulsions BASF SE 2011-02-02 CN disclosed
US-20110011806-A1 USE OF ALKOXYLATED POLYALKANOLAMINES FOR SPLITTING OIL-WATER EMULSIONS BASF SE (DE) 2011-01-20 US disclosed
US-5041234-A Transparent soap bars which may contain short chain monohydric alcohols, and a method of making the same LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-08-20 US disclosed
EP-0335640-A2 Transparent soap bars UNILEVER PLC (GB) 1989-10-04 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-20140227211-A1 FACILE SYNTHESIS OF GRAPHENE, GRAPHENE DERIVATIVES AND ABRASIVE NANOPARTICLES AND THEIR VARIOUS USES, INCLUDING AS TRIBOLOGICALLY-BENEFICIAL LUBRICANT ADDITIVES GRN, CCNO, TELO2 USP2 4119/4885ALDH1A1 2835/4885THRB 3768/4885

“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.