SCHEMBL15765299

SCHEMBL15765299

CC(C)(C)C(O)(Cn1cncn1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.53
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.45
CYP3A4 P08684 4/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
CYP19A1 P11511 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP51A1 Q16850 1/20 0.39
TP53 P04637 2/20 0.38

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
SCHEMBL15840493 0.89 HSP90AA1 (0.53) HSP90AA1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL15840492 0.86 HSP90AA1 (0.47) HSP90AA1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL10962858 0.86 ALDH1A1 (0.51) HSP90AA1ALDH1A1CYP3A4KMT2ALMNA
SCHEMBL15840491 0.83 CYP3A4 (0.49) HSP90AA1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL9313346 0.82 HSP90AA1 (0.59) HSP90AA1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL17325283 0.81 HSP90AA1 (0.50) HSP90AA1ALDH1A1CYP3A4KMT2ALMNA
SCHEMBL15832956 0.80 HSP90AA1 (0.49) HSP90AA1ALDH1A1CYP3A4KMT2ALMNA
SCHEMBL9660975 0.80 CYP3A4 (0.62) HSP90AA1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL17309019 0.80 HSP90AA1 (0.49) HSP90AA1ALDH1A1CYP3A4KMT2ALMNA
SCHEMBL15840494 0.80 CYP3A4 (0.51) HSP90AA1ALDH1A1KDM4ETSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307459-A1 Substituted 2-[phenoxy-phenyl]-1-[1,2,4]triazol-1-yl-ethanol Compounds and Their Use as Fungicides BASF SE (DE) 2015-10-29 US disclosed
US-20150307459-A1 Substituted 2-[phenoxy-phenyl]-1-[1,2,4]triazol-1-yl-ethanol Compounds and Their Use as Fungicides BASF SE (DE) 2015-10-29 US disclosed
WO-2014082871-A1 SUBSTITUTED 2-[PHENOXY-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2014-06-05 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 (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-20150307459-A1 Substituted 2-[phenoxy-phenyl]-1-[1,2,4]triazol-1-yl-ethanol Compounds and Their Use as Fungicides CYP2E1, CYP1A1, TH HSP90AA1 955/4885ALDH1A1 106/4885KDM4E 412/4885

“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.