SCHEMBL11298787

SCHEMBL11298787

COc1ccc(C(=O)/C=C/C(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.64
MAPT P10636 5/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 1/20 0.62
MAOB P27338 8/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TNFRSF1A P19438 2/20 0.58
HSPD1 P10809 1/20 0.58
HSPE1 P61604 1/20 0.58
CYP1B1 Q16678 1/20 0.58
MAOA P21397 3/20 0.57
XDH P47989 2/20 0.57
P4HB P07237 1/20 0.57
CALM1 P0DP23 1/20 0.57
RAB9A P51151 1/20 0.57
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
BCHE P06276 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL9519390 1.00 F3 (0.64) F3MAPTALDH1A1HPGDMAOB
SCHEMBL7000261 0.86 F3 (0.75) F3MAPTALDH1A1HPGDMAOB
SCHEMBL7000262 0.86 F3 (0.75) F3MAPTALDH1A1HPGDMAOB
SCHEMBL29336171 0.82 F3 (0.60) F3MAPTALDH1A1HPGDMAOB
SCHEMBL11807743 0.81 F3 (0.68) F3MAPTALDH1A1HPGDMAOB
SCHEMBL5468035 0.81 F3 (0.68) F3MAPTALDH1A1HPGDMAOB
SCHEMBL5468041 0.81 F3 (0.68) F3MAPTALDH1A1HPGDMAOB
SCHEMBL11879138 0.81 F3 (0.68) F3MAPTALDH1A1HPGDMAOB
SCHEMBL11879134 0.81 F3 (0.68) F3MAPTALDH1A1HPGDMAOB
SCHEMBL9756739 0.79 CYP1A2 (0.58) MAPTALDH1A1HPGDMAOBMEN1

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
US-9540350-B2 1-substituted, 4-(substituted phenoxymethyl)-1,2,3-triazole compounds with antifungal properties and methods for preparation thereof FDC LIMITED (IN) 2017-01-10 US disclosed
US-20160009692-A1 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF FDC LIMITED (IN) 2016-01-14 US disclosed
EP-0017952-B1 PROCESS FOR THE PRODUCTION OF STYRYL-CYCLOPROPANECARBOXYLIC-ACID ESTERS, INTERMEDIATES THEREFOR AND PROCESS FOR THEIR PRODUCTION BAYER AG (DE) 1982-12-22 EP disclosed
EP-0017952-A2 Process for the production of styryl-cyclopropanecarboxylic-acid esters, intermediates therefor and process for their production BAYER AG (DE) 1980-10-29 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-20160009692-A1 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF ERG28, CYP51A1, CYP2E1 F3 740/4885MAPT 1495/4885ALDH1A1 103/4885

“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.