SCHEMBL2175396

SCHEMBL2175396

CCCCOC(=O)C1CCC(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
PPARG P37231 3/20 0.48
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
MAPT P10636 1/20 0.46
LTA4H P09960 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL1664146 0.87 TSHR (0.58) TSHRL3MBTL1ALDH1A1TDP1CYP3A4
SCHEMBL6666657 0.86 FABP7 (0.58) TSHRL3MBTL1ALDH1A1TDP1MAPK1
SCHEMBL280126 0.86 FABP7 (0.58) TSHRL3MBTL1ALDH1A1TDP1MAPK1
SCHEMBL10917021 0.86 FABP7 (0.58) TSHRL3MBTL1ALDH1A1TDP1MAPK1
SCHEMBL17780228 0.86 TSHR (0.57) TSHRL3MBTL1ALDH1A1TDP1CYP3A4
SCHEMBL1664712 0.86 TSHR (0.57) TSHRL3MBTL1ALDH1A1TDP1CYP3A4
SCHEMBL6999819 0.86 NPC1 (0.63) TSHRL3MBTL1ALDH1A1TDP1CYP3A4
SCHEMBL23655138 0.85 TSHR (0.56) TSHRL3MBTL1ALDH1A1TDP1CYP3A4
SCHEMBL1663959 0.85 ALDH1A1 (0.56) TSHRL3MBTL1ALDH1A1TDP1CYP3A4
Hydrochloric Acid SCHEMBL27765522 0.85 FABP7 (0.57) TSHRL3MBTL1ALDH1A1TDP1MAPK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547646-B1 HIGH SOLVATING CYCLOHEXANE DICARBOXYLATE DIESTERS PLASTICIZERS EASTMAN CHEM CO (US) 2018-05-16 EP claimed
US-7973194-B1 High solvating cyclohexane dicarboxylate diesters plasticizers EASTMAN CHEMICAL COMPANY (US) 2011-07-05 US claimed
US-10550242-B2 Plasticiser composition containing aliphatic dicarboxylic acid esters and diesters selected from 1,2-cyclohexane dicarboxylic acid esters and terephthalic acid esters BASF SE (DE) 2020-02-04 US disclosed
US-10329402-B2 Plasticizer composition which comprises cycloalkyl esters of saturated dicarboxylic acids and 1,2-cyclohexanedicarboxylic esters BASF SE (DE) 2019-06-25 US disclosed
US-10287415-B2 Plasticizer composition which comprises cycloalkyl esters of saturated dicarboxylic acids and terephthalic esters BASF SE (DE) 2019-05-14 US disclosed
EP-3204448-B1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND 1,2-CYCLOHEXANEDICARBOXYLIC ESTERS BASF SE (DE) 2018-10-03 EP disclosed
US-10072133-B2 Plasticizer composition containing furan derivatives and 1,2-cyclohexanedicarboxylic ester BASF SE (DE) 2018-09-11 US disclosed
US-10030120-B2 Softener composition which contains tetrahydrofuran derivatives and 1,2-cyclohexane dicarboxylic acid esters BASF SE (DE) 2018-07-24 US disclosed
EP-3204447-B1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND TEREPHTHALIC ESTERS BASF SE (DE) 2018-07-18 EP disclosed
EP-2547646-B1 HIGH SOLVATING CYCLOHEXANE DICARBOXYLATE DIESTERS PLASTICIZERS EASTMAN CHEM CO (US) 2018-05-16 EP disclosed
US-20170313848-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND TEREPHTHALIC ESTERS BASF SE (DE) 2017-11-02 US disclosed
US-20170145187-A1 PLASTICIZER COMPOSITION WHICH CONTAINS ALIPHATIC DICARBOXYLIC ACID ESTERS UND TEREPHTHALIC ACID DIALKYL ESTERS BASF SE (DE) 2017-05-25 US disclosed
US-20170044352-A1 PLASTICIZER COMPOSITION WHICH CONTAINS FURAN DERIVATIVES AND TEREPHTHALIC ACID DIALKYL ESTERS BASF SE (DE) 2017-02-16 US disclosed
US-20160326347-A1 PLASTICIZER COMPOSITION CONTAINING FURAN DERIVATIVES AND 1,2-CYCLOHEXANEDICARBOXYLIC ESTER BASF SE (DE) 2016-11-10 US disclosed
US-20160312004-A1 SOFTENER COMPOSITION WHICH CONTAINS TETRAHYDROFURAN DERIVATIVES AND 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS BASF SE (DE) 2016-10-27 US disclosed
US-20160215119-A1 TETRAHYDROFURAN DERIVATIVES AND THEIR USE AS PLASTICIZERS BASF SE (DE) 2016-07-28 US disclosed
WO-2016055573-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND 1,2-CYCLOHEXANEDICARBOXYLIC ESTERS BASF SE (DE) 2016-04-14 WO disclosed
WO-2016055572-A1 PLASTICIZER COMPOSITION WHICH COMPRISES CYCLOALKYL ESTERS OF SATURATED DICARBOXYLIC ACIDS AND TEREPHTHALIC ESTERS BASF SE (DE) 2016-04-14 WO disclosed
US-20160075671-A1 TETRAHYDROFURAN DERIVATIVES AND USE THEREOF AS PLASTICIZERS BASF SE (DE) 2016-03-17 US disclosed
US-7973194-B1 High solvating cyclohexane dicarboxylate diesters plasticizers EASTMAN CHEMICAL COMPANY (US) 2011-07-05 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 (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-20160215119-A1 TETRAHYDROFURAN DERIVATIVES AND THEIR USE AS PLASTICIZERS DHPS, MTHFD2, TERT TSHR 4799/4885L3MBTL1 3729/4885ALDH1A1 278/4885
US-20160075671-A1 TETRAHYDROFURAN DERIVATIVES AND USE THEREOF AS PLASTICIZERS CBR3, CBR1, TERT TSHR 4601/4885L3MBTL1 3061/4885ALDH1A1 446/4885

“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.