SCHEMBL1061091

SCHEMBL1061091

O=C(O)C=C1C(=O)N(Cc2ccccc2)c2ccc(F)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 1.00
▸ PARK7 Q99497 2/20 0.60
▸ EGFR P00533 2/20 0.55
▸ CHRM5 P08912 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ ALDH3A1 P30838 2/20 0.47
▸ ALDH2 P05091 1/20 0.47
▸ CDC25A P30304 8/20 0.46

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
SCHEMBL1061089 1.00 TRPA1 (1.00) TRPA1PARK7EGFRCHRM5ALDH1A1
SCHEMBL12930205 0.85 TRPA1 (0.74) TRPA1PARK7EGFRCHRM5ALDH1A1
SCHEMBL12930306 0.85 TRPA1 (0.74) TRPA1ALDH1A1ALDH3A1ALDH2CDC25A
SCHEMBL1061470 0.84 TRPA1 (0.72) TRPA1ALDH1A1ALDH3A1ALDH2CDC25A
SCHEMBL1061471 0.84 TRPA1 (0.72) TRPA1ALDH1A1ALDH3A1ALDH2CDC25A
SCHEMBL12930285 0.82 TRPA1 (0.69) TRPA1PARK7CHRM5CDC25A
SCHEMBL13652120 0.81 TRPA1 (0.68) TRPA1ALDH1A1ALDH3A1ALDH2CDC25A
SCHEMBL29260673 0.81 TRPA1 (0.67) TRPA1PARK7EGFRCHRM5ALDH1A1
SCHEMBL29260675 0.81 TRPA1 (0.67) TRPA1PARK7EGFRCHRM5ALDH1A1
SCHEMBL12930312 0.80 TRPA1 (1.00) TRPA1PARK7CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015051-A1 MODULATORS OF ALPHA-DICARBONYL DETOXIFICATION AND THEIR USE FOR THE TREATMENT OF DIABETIC PATHOLOGIES BUCK INST RES AGING (US) 2018-01-18 — — US claimed
US-20110009379-A1 INDOLINONE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-01-13 — — US claimed
EP-2261206-A1 INDOLINONE COMPOUND Astellas Pharma Inc. (JP) 2010-12-15 — — EP claimed
US-20180015051-A1 MODULATORS OF ALPHA-DICARBONYL DETOXIFICATION AND THEIR USE FOR THE TREATMENT OF DIABETIC PATHOLOGIES BUCK INST RES AGING (US) 2018-01-18 — — US disclosed
US-20110009379-A1 INDOLINONE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-01-13 — — US disclosed
EP-2261206-A1 INDOLINONE COMPOUND Astellas Pharma Inc. (JP) 2010-12-15 — — 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 (2 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-20180015051-A1 MODULATORS OF ALPHA-DICARBONYL DETOXIFICATION AND THEIR USE FOR THE TREATMENT OF DIABETIC PATHOLOGIES TRPA1, TRPV1, TRPM2 TRPA1 1/4885PARK7 3704/4885EGFR 4019/4885
US-20110009379-A1 INDOLINONE COMPOUND TRPA1, TRPV1, TRPV6 TRPA1 1/4885PARK7 516/4885EGFR 4120/4885

“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.

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