SCHEMBL2380571

SCHEMBL2380571

CC1(OC(=O)C2CCCCC2C(=O)OC2(C)CCCCC2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
EPHX1 P07099 1/20 0.32
HSD11B1 P28845 1/20 0.32
SLC6A2 P23975 2/20 0.30
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL2380572 0.93 CYP19A1 (0.35) CYP19A1SCN1ASCN2ASCN3ACYP2C19
SCHEMBL13076139 0.84 SMN1; SMN2 (0.40) CYP19A1HSD11B1CHRM2CHRM4CHRM1
SCHEMBL10620829 0.84 SMN1; SMN2 (0.40) CYP19A1HSD11B1CHRM2CHRM4CHRM1
SCHEMBL18776018 0.81 CYP3A4 (0.34) CYP19A1SCN1ASCN2ASCN3ACYP3A4
SCHEMBL5518259 0.81 CYP19A1 (0.40) CYP19A1SCN1ASCN2ASCN3ACYP3A4
SCHEMBL18785617 0.79 TP53 (0.33) CYP19A1CYP3A4TP53CYP2C19CYP2D6
SCHEMBL15355236 0.79 SCN1A (0.36) CYP19A1SCN1ASCN2ASCN3A
SCHEMBL18776021 0.79 TP53 (0.35) CYP3A4TP53
SCHEMBL13564215 0.78 HSD11B1 (0.39) CYP19A1SCN1ASCN2ASCN3AMAPT
SCHEMBL18785621 0.77 TP53 (0.33) CYP3A4TP53CYP2C19CYP2D6

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 6 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-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-7282601-B2 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-10-16 US disclosed
US-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL, CO., LTD. (JP) 2005-02-17 US disclosed
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 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 (2 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-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester SCO2, PDHX, DECR2 CYP19A1 91/4885SCN1A 3770/4885SCN2A 3734/4885
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 CYP19A1 2967/4885SCN1A 4115/4885SCN2A 4162/4885

“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.