SCHEMBL1297449

SCHEMBL1297449

CCCCC(CC)COC(=O)C1CCCC(C(=O)OCC(CC)CCCC)C1C(=O)OCC(CC)CCCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.51
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 7/20 0.46
CA2 P00918 3/20 0.46
RECQL P46063 1/20 0.44
LMNA P02545 3/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1297705 0.96 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1196807 0.92 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1297708 0.92 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1142664 0.90 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1196808 0.87 CYP3A4 (0.45) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1297322 0.86 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL14874506 0.85 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL14874505 0.85 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1297731 0.85 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1296983 0.84 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1

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 9 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-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-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
US-6683030-B2 CONTAINING A CYCLOHEXANEPOLYCARBOXYLIC ACID ESTER, ESPECIALLY A DIISOALKYL 1,2-CYCLOHEXANEDICARBOXYLATE; A NONIONIC SURFACTANT; WATER; AND AN ACTIVE PLANT TREATMENT AGENT, E.G, HERBICIDE OR PLANT GROWTH REGULATOR BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-20030069135-A1 Agrotechnical formulation BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 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-20030069135-A1 Agrotechnical formulation HACL2, CBR1, ACACA CYP3A4 2067/4885TSHR 4673/4885TDP1 2184/4885

“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.