SCHEMBL4643243

SCHEMBL4643243

CCCCCC(C)(C)OC(=O)c1ccc(F)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
KEAP1 Q14145 1/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.36
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4643236 0.93 TSHR (0.38) RARBRARARARGALDH1A1TSHR
SCHEMBL4640225 0.91 KEAP1 (0.41) RARBRARARARGKEAP1LTB4R2
SCHEMBL4640163 0.85 POLB (0.45) PPARAPPARGALDH1A1TSHRTP53
SCHEMBL4640012 0.85 PPARA (0.38) RARBRARARARGPPARAPPARG
SCHEMBL4640854 0.85 ALDH1A1 (0.48) PPARAPPARGALDH1A1TSHRTP53
SCHEMBL4640222 0.84 RIPK1 (0.36) KEAP1ALDH1A1TSHRMAPK1
SCHEMBL1014228 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL8904304 0.81 ALDH1A1 (0.56) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL4642938 0.80 TSHR (0.37) PPARAPPARGALDH1A1TSHR
SCHEMBL4639983 0.80 MEN1 (0.44) PPARAPPARGALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188739-B1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO LTD (JP) 2008-08-13 EP disclosed
US-6670497-B2 Dialkyl (at least one of which is a C4-8 tertiary alkyl) ester of an alkyl- or halo-substituted phthalic acid; used in an olefin polymerization catalyst TOHO TITANIUM CO., LTD. (JP) 2003-12-30 US disclosed
US-20030036594-A1 Phthalic diester derivatives and electron donors TOHO TITANIUM CO., LTD. (JP) 2003-02-20 US disclosed
EP-1188739-A1 PHTHALIC DIESTER DERIVATIVES AND ELECTRON DONORS TOHO TITANIUM CO., LTD. (JP) 2002-03-20 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-20030036594-A1 Phthalic diester derivatives and electron donors HPD, ETFA, PPOX RARB 2183/4885RARA 1923/4885RARG 2497/4885

“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.