SCHEMBL536687

SCHEMBL536687

CCC(=O)OC(C)(C)c1cccc(C(C)(C)OC(=O)CC)c1C(C)(C)OC(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
NLRP3 Q96P20 1/20 0.35
KCNH2 Q12809 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
ELANE P08246 1/20 0.33
HIF1A Q16665 4/20 0.33
KMT2A Q03164 2/20 0.33
ESR1 P03372 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL536167 0.79 CYP3A4 (0.36) ACHEHIF1ACA2GABRA1GABRB2
SCHEMBL9466322 0.75 CA2 (0.41) NLRP3CA2GABRA1GABRB2KDM4E
SCHEMBL2813866 0.75 HIF1A (0.37) KCNH2OPRM1OPRD1MRGPRX2CHRM3
SCHEMBL42692 0.74 CYP2C19 (0.50) KCNH2OPRM1OPRD1MRGPRX2CHRM3
SCHEMBL27835933 0.72 ACHE (0.45) ACHEKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL18689506 0.71 HIF1A (0.34) ACHEKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL3367791 0.70 CA2 (0.39) NLRP3SMN1; SMN2CA2GABRA1GABRB2
SCHEMBL25769444 0.70 SCN5A (0.44) KCNH2OPRM1OPRD1MRGPRX2CHRM3
SCHEMBL29764509 0.70 ALDH1A1 (0.48) CA2GABRA1GABRB2ALDH1A1
SCHEMBL3106511 0.69 NLRP3 (0.44) ACHENLRP3ELANEHIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925804-B1 COPOLYMERS OF POLYAMINOPOLYOLEFINS AND POLYANHYDRIDES CHEVRON ORONITE CO (US) 2019-02-20 EP disclosed
EP-2414432-B1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION CHEVRON ORONITE CO (US) 2017-05-31 EP disclosed
US-9315595-B2 Amine-terminated telechelic polymers and precursors thereto and methods for their preparation CHEVRON ORONITE COMPANY LLC (US) 2016-04-19 US disclosed
US-9243203-B2 Copolymers of polyaminopolyolefins and polyanhydrides and methods of their preparation CHEVRON ORONITE COMPANY LLC (US) 2016-01-26 US disclosed
EP-2925804-A1 COPOLYMERS OF POLYAMINOPOLYOLEFINS AND POLYANHYDRIDES Chevron Oronite Company LLC (US) 2015-10-07 EP disclosed
WO-2014085047-A1 COPOLYMERS OF POLYAMINOPOLYOLEFINS AND POLYANHYDRIDES CHEVRON ORONITE COMPANY LLC (US) 2014-06-05 WO disclosed
US-20140155308-A1 COPOLYMERS OF POLYAMINOPOLYOLEFINS AND POLYANHYDRIDES AND METHODS OF THEIR PREPARATION CHEVRON ORONITE COMPANY LLC (US) 2014-06-05 US disclosed
US-20140031497-A1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2014-01-30 US disclosed
US-8552122-B2 Amine-terminated telechelic polymers and precursors thereto and methods for their preparation THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2013-10-08 US disclosed
EP-2414432-A2 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION Chevron Oronite Company LLC (US) 2012-02-08 EP disclosed
WO-2010117619-A2 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION CHEVRON ORONITE COMPANY LLC (US) 2010-10-14 WO disclosed
US-20100249001-A1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION UNIVERSITY OF SOUTHERN MISSISSIPPI 2010-09-30 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-20100249001-A1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION TERT, TELO2, TSPO ACHE 1110/4885NLRP3 4395/4885KCNH2 1449/4885

“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.