Sugi Predict

Sugi Predict / Compounds / SCHEMBL2516397

SCHEMBL2516397

SCHEMBL2516397

O=C1C=CC=C(Cc2cccc3ccccc23)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 1/20 0.42
▸ CTRC Q99895 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ ADRA2B P18089 2/20 0.40
▸ ADRA2C P18825 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NQO1 P15559 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40

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
SCHEMBL2519252 0.74 MAOA (0.54) ACP3CTRCALDH1A1MAPTMAPK1
SCHEMBL599659 0.71 CYP2C19 (0.62) ACP3CTRCALDH1A1MAPTMAPK1
SCHEMBL29490353 0.71 CYP2C19 (0.62) ACP3CTRCALDH1A1MAPTMAPK1
SCHEMBL11328087 0.69 CYP2C19 (0.60) ACP3CTRCALDH1A1MAPTMAPK1
Hydrogen Sulfide SCHEMBL11348128 0.69 CYP2C19 (0.60) ACP3CTRCALDH1A1MAPTMAPK1
SCHEMBL4667060 0.69 CYP2C19 (0.60) ACP3CTRCALDH1A1MAPTMAPK1
SCHEMBL11339937 0.69 CYP2C19 (0.60) ACP3CTRCALDH1A1MAPTMAPK1
SCHEMBL659517 0.69 CYP2C19 (0.60) ACP3CTRCALDH1A1MAPTMAPK1
SCHEMBL659516 0.69 CYP2C19 (0.60) ACP3CTRCALDH1A1MAPTMAPK1
Potassium SCHEMBL29867531 0.69 CYP2C19 (0.60) ACP3CTRCALDH1A1MAPTMAPK1

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
US-4590301-A USING PHENOL OR DIKETONE CYCLOHEXYL COMPOUNDS BARNES-HIND, INC. (US) 1986-05-20 — — US claimed
EP-0179476-A1 Polymerization inhibitors and polymerization-inhibited solutions of monomers Barnes-Hind, Inc. (US) 1986-04-30 — — EP claimed
US-8470932-B2 Scalable process for synthesis of a curable wax XEROX CORPORATION (US) 2013-06-25 — — US disclosed
US-8207274-B2 Solvent-free process for synthesis of a curable wax XEROX CORPORATION (US) 2012-06-26 — — US disclosed
US-20110251334-A1 SOLVENT-FREE PROCESS FOR SYNTHESIS OF A CURABLE WAX XEROX CORPORATION (US) 2011-10-13 — — US disclosed
US-20110247521-A1 SCALEABLE PROCESS FOR SYNTHESIS OF A CURABLE WAX XEROX CORPORATION (US) 2011-10-13 — — US disclosed
US-4590301-A USING PHENOL OR DIKETONE CYCLOHEXYL COMPOUNDS BARNES-HIND, INC. (US) 1986-05-20 — — 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-20110247521-A1 SCALEABLE PROCESS FOR SYNTHESIS OF A CURABLE WAX HACL2, USP14, USP16 ACP3 1419/4885CTRC 258/4885ALDH1A1 2255/4885

“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.