SCHEMBL1297224

SCHEMBL1297224

CC(C)OC(=O)C1CCC(C(=O)OCCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
TSHR P16473 1/20 0.31
PKM P14618 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
SCHEMBL1297253 0.87 EPHX2 (0.35) ALDH1A1MAPTADRB2ADRB1ADRB3
SCHEMBL28011543 0.86 ROCK2 (0.36) ALDH1A1MAPTADRB2ADRB1ADRB3
SCHEMBL1296412 0.86 PPM1B (0.45) ALDH1A1MAPTPPM1BPTPN1PPP1CC
SCHEMBL30368740 0.84 TSHR (0.39) ALDH1A1MAPTPPM1BPTPN1PPP1CC
SCHEMBL30368963 0.84 TSHR (0.39) ALDH1A1MAPTPPM1BPTPN1PPP1CC
SCHEMBL21357046 0.84
SCHEMBL1297693 0.84 TSHR (0.39) ALDH1A1MAPTPPM1BPTPN1PPP1CC
SCHEMBL1297140 0.84 PPARG (0.42) ALDH1A1MAPTADRB2ADRB1ADRB3
SCHEMBL1297854 0.83 ALDH1A1 (0.41) ALDH1A1MAPTPPM1BPTPN1PPP1CC
SCHEMBL1296764 0.82 TSHR (0.43) ALDH1A1KMT2AKDM4ETSHR

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
US-10017454-B2 Method of manufacturing BHCD and derivatives thereof FAR EASTERN NEW CENTURY CORPORATION (TW) 2018-07-10 US disclosed
US-20170342016-A1 METHOD OF MANUFACTURING BHCD AND DERIVATIVES THEREOF FAR EASTERN NEW CENTURY CORPORATION (TW) 2017-11-30 US disclosed
US-8889748-B2 Process for producing expandable styrene polymer compositions BASF SE (DE) 2014-11-18 US disclosed
US-8535436-B2 Use of cyclohexane polycarboxylic acid derivatives for removing dust from chemical construction products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-09-17 US disclosed
US-8454744-B2 Use of polyols and cyclohexane polycarboxylic acid derivatives for the removal of dust from chemical construction products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-06-04 US disclosed
US-20120138206-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-06-07 US disclosed
US-20110291040-A1 PROCESS FOR PRODUCING EXPANDABLE STYRENE POLYMER COMPOSITIONS BASF SE (DE) 2011-12-01 US disclosed
US-20110265693-A1 Use Of Polyols And Cyclohexane Polycarboxylic Acid Derivatives For The Removal Of Dust From Chemical Construction Products Construction Research & Tecnology GMBH (DE) 2011-11-03 US disclosed
US-20110232825-A1 CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES AS PLASTICIZERS FOR ADHESIVES AND SEALANTS BASF SE (DE) 2011-09-29 US disclosed
US-20110209644-A1 Use of Cyclohexane Polycarboxylic Acid Derivatives For Removing Dust From Chemical Construction Products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-09-01 US disclosed
US-7337913-B2 Single piece closure device made of PVC BASF AKTIENGESELLSCHAFT (DE) 2008-03-04 US disclosed
US-20050106405-A1 Single piece closure device made of pvc BASF AKTIENGESELLSCHAFT (DE) 2005-05-19 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 (3 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-20170342016-A1 METHOD OF MANUFACTURING BHCD AND DERIVATIVES THEREOF BHMT, BHMT2, HPD ALDH1A1 336/4885MAPT 932/4885ADRB2 3585/4885
US-20110209644-A1 Use of Cyclohexane Polycarboxylic Acid Derivatives For Removing Dust From Chemical Construction Products H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HPD, HCAR2 ALDH1A1 2107/4885MAPT 2163/4885ADRB2 4247/4885
US-10017454-B2 Method of manufacturing BHCD and derivatives thereof BHMT, BHMT2, HPD ALDH1A1 336/4885MAPT 932/4885ADRB2 3585/4885

“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.