SCHEMBL956091

SCHEMBL956091

C/C=C/C(=O)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
TNFRSF1A P19438 1/20 0.62
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ATM Q13315 3/20 0.50
PKM P14618 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
NLRP1 Q9C000 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50

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
SCHEMBL956092 1.00 CYP1A2 (0.63) CYP1A2CYP2C19TNFRSF1AMAPTALDH1A1
SCHEMBL6989990 0.86 TNFRSF1A (0.72) CYP1A2CYP2C19TNFRSF1AMAPTALDH1A1
SCHEMBL6989989 0.86 TNFRSF1A (0.72) CYP1A2CYP2C19TNFRSF1AMAPTALDH1A1
SCHEMBL11480420 0.82 MAPT (0.59) CYP1A2CYP2C19TNFRSF1AMAPTSMN1; SMN2
SCHEMBL28024599 0.80 TNFRSF1A (0.64) CYP1A2CYP2C19TNFRSF1AMAPTSMN1; SMN2
SCHEMBL6451968 0.80 TNFRSF1A (0.64) CYP1A2CYP2C19TNFRSF1AMAPTSMN1; SMN2
SCHEMBL11818127 0.80 ALDH1A1 (0.78) MAPTALDH1A1SMN1; SMN2ATMPKM
SCHEMBL5854010 0.80 MAPT (0.63) CYP1A2CYP2C19MAPTALDH1A1SMN1; SMN2
SCHEMBL11587157 0.80 MAPT (0.63) CYP1A2CYP2C19MAPTALDH1A1SMN1; SMN2
SCHEMBL10694907 0.80 ALDH1A1 (0.52) CYP1A2CYP2C19TNFRSF1AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961743-B1 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF FDC LTD (IN) 2018-06-20 EP disclosed
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-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2006089038-A2 INSECTICIDAL TETRAHYDROINDENOPYRIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-08-24 WO 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-20160009692-A1 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF ERG28, CYP51A1, CYP2E1 CYP1A2 30/4885CYP2C19 78/4885TNFRSF1A 4777/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP1A2 120/4885CYP2C19 175/4885TNFRSF1A 4149/4885

“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.