SCHEMBL14645502

SCHEMBL14645502

COC(Cn1cncn1)(c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 11/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 10/20 0.36
CYP2C19 P33261 10/20 0.36
CYP1A2 P05177 6/20 0.36
CYP2D6 P10635 6/20 0.36
KCNH2 Q12809 2/20 0.36
CYP19A1 P11511 3/20 0.36
LMNA P02545 2/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP51A1 Q16850 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP3A7 P24462 1/20 0.33

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
SCHEMBL14645415 0.85 CYP3A4 (0.43) ARKMT2ACYP3A4ALDH1A1CYP2C9
SCHEMBL15823085 0.85 CYP3A4 (0.43) ARKMT2ACYP3A4ALDH1A1CYP2C9
SCHEMBL29430293 0.85 CYP3A4 (0.43) ARKMT2ACYP3A4ALDH1A1CYP2C9
SCHEMBL15822678 0.85 CYP3A4 (0.43) ARKMT2ACYP3A4ALDH1A1CYP2C9
SCHEMBL29359755 0.85 CYP3A4 (0.43) ARKMT2ACYP3A4ALDH1A1CYP2C9
SCHEMBL15823628 0.85 CYP3A4 (0.41) ARKMT2ACYP3A4ALDH1A1CYP2C9
SCHEMBL15821872 0.85 CYP3A4 (0.41) ARKMT2ACYP3A4ALDH1A1CYP2C9
SCHEMBL14645811 0.85 CYP3A4 (0.41) ARKMT2ACYP3A4ALDH1A1CYP2C9
SCHEMBL19145207 0.84 KMT2A (0.44) ARKMT2ACYP3A4ALDH1A1CYP2C9
SCHEMBL9835984 0.83 KMT2A (0.46) KMT2ACYP3A4ALDH1A1CYP19A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358426-B2 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds BASF Agro B.V. (NL) 2019-07-23 US disclosed
US-20170081296-A1 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds BASF AGRO BV (NL) 2017-03-23 US disclosed
EP-2731935-B1 FUNGICIDAL SUBSTITUTED 2-[2-HALOGENALKYL-4-(PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF AGRO BV (NL) 2016-03-09 EP disclosed
US-20140155262-A1 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds BASF SE (DE) 2014-06-05 US disclosed
EP-2731935-A1 FUNGICIDAL SUBSTITUTED 2-[2-HALOGENALKYL-4-(PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF SE (DE) 2014-05-21 EP disclosed
WO-2013007767-A1 FUNGICIDAL SUBSTITUTED 2-[2-HALOGENALKYL-4-(PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF SE (DE) 2013-01-17 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 (3 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-20140155262-A1 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds CYP2E1, TH, CYP1A1 AR 3165/4885KMT2A 1386/4885CYP3A4 66/4885
US-20170081296-A1 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds CYP2E1, TH, CYP1A1 AR 3165/4885KMT2A 1386/4885CYP3A4 66/4885
US-10358426-B2 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds CYP2E1, TH, CYP1A1 AR 3165/4885KMT2A 1386/4885CYP3A4 66/4885

“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.