SCHEMBL3788094

SCHEMBL3788094

CCCCCCCCCC(CCCCCC)(CCCCCC)OC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 0.43
PPARA Q07869 7/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
PTPN1 P18031 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43
PDE4A P27815 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL11839463 1.00 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL7782352 1.00 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL2702394 1.00 CES2 (0.44) CES2GPR84PPARGPPARDPPARA
SCHEMBL29175476 0.98 CES2 (0.42) CES2GPR84PPARGPPARDPPARA
Ammonia Solution, Strong SCHEMBL29145548 0.98 CES2 (0.42) CES2GPR84PPARGPPARDPPARA
SCHEMBL22117083 0.96 CES2 (0.41) CES2GPR84PPARGPPARDPPARA
SCHEMBL27833356 0.96 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL28884013 0.92 CES2 (0.41) CES2GPR84PPARGPPARDPPARA
SCHEMBL2702976 0.91 AKR1B1 (0.37) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL141054 0.89 CES2 (0.38) CES2GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544086-B2 Dialkyl carbonates of branched alcohols and their use COGNIS IP MANAGEMENT GMBH (DE) 2020-01-28 US disclosed
CN-104684865-B Dust-proof cement composition 圣戈班韦伯公司 2017-10-27 CN disclosed
US-20170260123-A1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE COGNIS IP MANAGEMENT GMBH (DE) 2017-09-14 US disclosed
CN-104684865-A Anti-dust mortar composition SAINT GOBAIN WEBER 2015-06-03 CN disclosed
US-20100331565-A1 Dialkyl Carbonates of Branched Alcohols and their Use COGNIS IP MANAGEMENT GMBH (DE) 2010-12-30 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 (3 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-10544086-B2 Dialkyl carbonates of branched alcohols and their use ADH1C, ADH1A, GALK1 CES2 800/4885GPR84 2884/4885PPARG 267/4885
US-20170260123-A1 DIALKYL CARBONATES OF BRANCHED ALCOHOLS AND THEIR USE ADH1C, ADH1A, GALK1 CES2 800/4885GPR84 2884/4885PPARG 267/4885
US-20100331565-A1 Dialkyl Carbonates of Branched Alcohols and their Use GALK1, BCKDK, ADH1C CES2 573/4885GPR84 1634/4885PPARG 153/4885

“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.