SCHEMBL3961238

SCHEMBL3961238

COC(=O)C(CC(=O)O)=C(c1ccc(C(F)(F)F)cc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
PPARA Q07869 6/20 0.47
PPARD Q03181 4/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 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
SCHEMBL1960540 0.92 MAPT (0.46) MAPTPPARAPPARDKDM4EALDH1A1
SCHEMBL29664077 0.92 MAPT (0.46) MAPTPPARAPPARDKDM4EALDH1A1
SCHEMBL1960538 0.92 MAPT (0.46) MAPTPPARAPPARDKDM4EALDH1A1
SCHEMBL8511385 0.89 ALDH1A1 (0.57) MAPTPPARAKDM4EALDH1A1LMNA
SCHEMBL8511383 0.89 ALDH1A1 (0.57) MAPTPPARAKDM4EALDH1A1LMNA
SCHEMBL6131985 0.88 CA12 (0.57) MAPTALDH1A1CA12CA1CA2
SCHEMBL1331951 0.86 CA12 (0.51) MAPTPPARAKDM4EALDH1A1CA12
SCHEMBL1331949 0.86 CA12 (0.51) MAPTPPARAKDM4EALDH1A1CA12
SCHEMBL4367722 0.84 SMPD1 (0.52) MAPTALDH1A1CA12CA1CA2
SCHEMBL4367720 0.84 SMPD1 (0.52) MAPTALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078006-B1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL INC (US) 2018-11-07 EP disclosed
US-9006427-B2 Photochromic materials demonstrating improved fade rates TRANSITIONS OPTICAL, INC. (US) 2015-04-14 US disclosed
US-8748634-B2 Photochromic materials demonstrating improved fade rates TRANSITIONS OPTICAL, INC. (US) 2014-06-10 US disclosed
US-20140155598-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2014-06-05 US disclosed
EP-2078006-A2 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2009-07-15 EP disclosed
WO-2008054942-A2 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2008-05-08 WO disclosed
US-20080103301-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2008-05-01 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-20080103301-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES PNPO, FLAD1, CRY2 MAPT 1586/4885PPARA 715/4885PPARD 890/4885

“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.