SCHEMBL4438838

SCHEMBL4438838

CCCCOC(=O)c1ccc(C(=O)OCC(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.68
TSHR P16473 4/20 0.68
LMNA P02545 3/20 0.68
CYP1A2 P05177 3/20 0.68
CYP2C19 P33261 2/20 0.68
CYP2D6 P10635 2/20 0.68
MAPK1 P28482 1/20 0.68
NR1H2 P55055 1/20 0.68
RNASEL Q05823 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 1/20 0.66
PDE4D Q08499 1/20 0.66
HPGD P15428 1/20 0.59
RECQL P46063 1/20 0.59
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
STS P08842 7/20 0.57

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
Butylparaben SCHEMBL2526213 0.94 ESR1 (0.79) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL5164197 0.90 ALDH1A1 (0.66) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7946887 0.88 ALDH1A1 (0.61) ESR1TSHRLMNACYP1A2CYP2C19
Butylparaben SCHEMBL7931408 0.88 ESR1 (0.69) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL37476 0.88 ESR1 (0.85) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL19690705 0.87 ESR1 (0.68) ESR1TSHRLMNACYP1A2CYP2C19
Hydrogen Peroxide SCHEMBL28645617 0.86 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27647431 0.86 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27647502 0.86 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL27667931 0.86 ESR1 (0.82) ESR1TSHRLMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134671-B1 LOW-MELTING MIXTURES OF DI-N-BUTYL AND DIISOBUTYL TEREPHTHALATE EASTMAN CHEM CO (US) 2018-06-06 EP claimed
EP-2134671-A1 LOW-MELTING MIXTURES OF DI-N-BUTYL AND DIISOBUTYL TEREPHTHALATE Eastman Chemical Company (US) 2009-12-23 EP claimed
WO-2008130483-A1 LOW-MELTING MIXTURES OF DI-N-BUTYL AND DIISOBUTYL TEREPHTHALATE EASTMAN CHEMICAL COMPANY (US) 2008-10-30 WO claimed
US-7361779-B1 Low-melting mixtures of di-n-butyl and diisobutyl terephthalate EASTMAN CHEMICAL COMPANY (US) 2008-04-22 US claimed
CN-115433087-B Method for extracting dibutyl terephthalate from Raffaelea lauricola 福建农林大学 2023-09-12 CN disclosed
EP-3747860-B1 NOVEL CYCLOHEXANONE BASED PLASTICISERS BASF SE (DE) 2023-07-26 EP disclosed
CN-115433087-A Method for extracting dibutyl terephthalate from Raffaelea lauricola 福建农林大学 2022-12-06 CN disclosed
EP-3351526-B1 DIISOPENTYLTEREPHTHALATE EVONIK OPERATIONS GMBH (DE) 2020-11-18 EP disclosed
US-10787414-B2 Diisopentyl terephthalate EVONIK OPERATIONS GMBH (DE) 2020-09-29 US disclosed
US-20180208541-A1 DIISOPENTYL TEREPHTHALATE EVONIK OXENO GMBH & CO. KG (DE) 2018-07-26 US disclosed
US-20180208541-A1 DIISOPENTYL TEREPHTHALATE EVONIK OXENO GMBH & CO. KG (DE) 2018-07-26 US disclosed
EP-3351526-A1 DIISOPENTYLTEREPHTHALATE Evonik Degussa GmbH (DE) 2018-07-25 EP disclosed
WO-2014195055-A1 IMPROVEMENTS IN OR RELATING TO PLASTICISER ESTERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-12-11 WO disclosed
EP-2810932-A1 Improvements in or relating to plasticiser esters ExxonMobil Chemical Patents Inc. (US) 2014-12-10 EP disclosed
CN-101652343-A Process for converting terephthalic acid to di-n-butyl terephthalate EASTMAN CHEM CO US 2010-02-17 CN disclosed
EP-2134671-A1 LOW-MELTING MIXTURES OF DI-N-BUTYL AND DIISOBUTYL TEREPHTHALATE Eastman Chemical Company (US) 2009-12-23 EP disclosed
WO-2008130483-A1 LOW-MELTING MIXTURES OF DI-N-BUTYL AND DIISOBUTYL TEREPHTHALATE EASTMAN CHEMICAL COMPANY (US) 2008-10-30 WO disclosed
US-7361779-B1 Low-melting mixtures of di-n-butyl and diisobutyl terephthalate EASTMAN CHEMICAL COMPANY (US) 2008-04-22 US disclosed
US-7361779-B1 Low-melting mixtures of di-n-butyl and diisobutyl terephthalate EASTMAN CHEMICAL COMPANY (US) 2008-04-22 US disclosed
US-7361779-B1 Low-melting mixtures of di-n-butyl and diisobutyl terephthalate EASTMAN CHEMICAL COMPANY (US) 2008-04-22 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-10787414-B2 Diisopentyl terephthalate PARL, RAD54L, NAPEPLD ESR1 3011/4885TSHR 4601/4885LMNA 1064/4885
US-20180208541-A1 DIISOPENTYL TEREPHTHALATE PARL, RAD54L, NAPEPLD ESR1 3011/4885TSHR 4601/4885LMNA 1064/4885

“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.