SCHEMBL1297630

SCHEMBL1297630

CCCCCC(CCC)COC(=O)C1CCCC(C(=O)OCC)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.38
EPHX2 P34913 1/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 7/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.35
ADRB2 P07550 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL1296931 0.96 EPHX2 (0.40) MEN1KMT2ATSHREPHX2CYP3A4
SCHEMBL1296870 0.91 EPHX2 (0.40) MEN1KMT2ATSHREPHX2CYP3A4
SCHEMBL1296935 0.91 EPHX2 (0.38) MEN1KMT2ATSHREPHX2CYP3A4
SCHEMBL1297330 0.91 EPHX2 (0.47) MEN1KMT2ATSHREPHX2CYP3A4
SCHEMBL1296525 0.91 EPHX2 (0.45) MEN1KMT2ATSHREPHX2CYP3A4
SCHEMBL1296510 0.91 EPHX2 (0.42) MEN1KMT2ATSHREPHX2CYP3A4
SCHEMBL1297496 0.91 EPHX2 (0.38) MEN1KMT2ATSHREPHX2CYP3A4
SCHEMBL1297549 0.91 CYP3A4 (0.47) TSHREPHX2CYP3A4ATMTDP1
SCHEMBL1296405 0.90 EPHX2 (0.47) TSHREPHX2CYP3A4ATMTDP1
SCHEMBL1296266 0.90 EPHX2 (0.47) TSHREPHX2CYP3A4ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 MEN1 3309/4885KMT2A 1744/4885TSHR 4746/4885

“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.