SCHEMBL15280988

SCHEMBL15280988

CCOC(=O)/C=C(/c1cccc(OC)c1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
PARP1 P09874 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ELANE P08246 3/20 0.46
MAOB P27338 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
TAS1R3 Q7RTX0 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
SCHEMBL2505650 0.86 CES2 (0.54) CES2CES1SMN1; SMN2NPC1RAB9A
SCHEMBL2505656 0.86 CES2 (0.54) CES2CES1SMN1; SMN2NPC1RAB9A
SCHEMBL29099596 0.85 ALDH1A1 (0.46) NPC1RAB9AALDH1A1MAPTPARP1
SCHEMBL30185564 0.85 ALDH1A1 (0.46) NPC1RAB9AALDH1A1MAPTPARP1
SCHEMBL30935225 0.85 ALDH1A1 (0.46) NPC1RAB9AALDH1A1MAPTPARP1
SCHEMBL29099498 0.85 ALDH1A1 (0.46) NPC1RAB9AALDH1A1MAPTPARP1
SCHEMBL30185573 0.85 ALDH1A1 (0.46) NPC1RAB9AALDH1A1MAPTPARP1
SCHEMBL23124814 0.84 NQO2 (0.49) CES2RAB9AALDH1A1MAPTMAOB
SCHEMBL23124816 0.84 NQO2 (0.49) CES2RAB9AALDH1A1MAPTMAOB
SCHEMBL6897029 0.83 CES2 (0.54) CES2CES1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2013-09-26 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-20130253064-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 CES2 4875/4885CES1 4675/4885SMN1; SMN2 61/4885

“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.