SCHEMBL9796192

SCHEMBL9796192

CCCCCC(O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.46
CSNK1E P49674 1/20 0.42
ESR1 P03372 1/20 0.41
PDE5A O76074 1/20 0.40
PPARA Q07869 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
CNR2 P34972 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
P2RX7 Q99572 1/20 0.37
LMNA P02545 1/20 0.36
ASAH1 Q13510 1/20 0.36

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
SCHEMBL9795914 0.98 PPARG (0.48) PPARGCSNK1EESR1PDE5APPARA
SCHEMBL3936218 0.98 PPARG (0.48) PPARGCSNK1EESR1PDE5APPARA
SCHEMBL477348 0.94 ESR1 (0.42) PPARGCSNK1EESR1PDE5AALDH1A1
SCHEMBL539922 0.88 ESR1 (0.43) PPARGESR1GAALMNA
SCHEMBL7328907 0.83 ESR1 (0.39) PPARGESR1ALDH1A1GAAKDM4E
SCHEMBL8216569 0.81 ALDH1A1 (0.46) PPARGCSNK1EPPARAALDH1A1CNR2
SCHEMBL20543855 0.81 SOAT1 (0.42) PPARGCSNK1EALDH1A1
SCHEMBL7648740 0.81 CYSLTR2 (0.48) PPARGCSNK1EESR1ALDH1A1TP53
SCHEMBL6547454 0.81 CYSLTR2 (0.48) PPARGCSNK1EESR1ALDH1A1TP53
SCHEMBL6690451 0.81 TSHR (0.52) PPARGCSNK1EPPARAALDH1A1CNR2

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-7572927-B2 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound FUJIFILM CORPORATION (JP) 2009-08-11 US disclosed
US-20080194816-A1 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound FUJIFILM CORPORATION (JP) 2008-08-14 US disclosed
US-5006534-A Substituted ethers, thioethers and amines for use as lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0224086-B1 SUBSTITUTED BENZYL ETHERS BAYER AG (DE) 1990-10-24 EP disclosed
EP-0224086-A2 Substituted benzyl ethers BAYER AG (DE) 1987-06-03 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 (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-20080194816-A1 Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound DDT, OXER1, OSTC PPARG 2475/4885CSNK1E 4860/4885ESR1 2042/4885

“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.