SCHEMBL1296142

SCHEMBL1296142

CCOC(=O)C1CCCCC1C(=O)OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.38
CAPN9 O14815 1/20 0.38
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL234626 0.93 TP53 (0.48) TP53CYP3A4ALDH1A1TSHRRAB9A
SCHEMBL28559550 0.93 TP53 (0.48) TP53CYP3A4ALDH1A1TSHRRAB9A
SCHEMBL28550950 0.93 TP53 (0.48) TP53CYP3A4ALDH1A1TSHRRAB9A
SCHEMBL1170039 0.91 TP53 (0.47) TP53CYP3A4ALDH1A1TSHRMEN1
SCHEMBL1169704 0.89 TSHR (0.45) TP53CYP3A4ALDH1A1TSHRMEN1
SCHEMBL6900183 0.87 TP53 (0.53) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL13011542 0.87 TP53 (0.53) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL28405577 0.87 TP53 (0.53) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL234644 0.87 TP53 (0.53) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL1296429 0.86 TP53 (0.41) TP53CYP3A4TSHRRAB9APPM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TP53 1593/4885CYP3A4 1195/4885ALDH1A1 2107/4885

“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.