SCHEMBL14697605

SCHEMBL14697605

C#CCOC(CC)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.36
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP51A1 Q16850 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL15770528 0.89 CYP3A4 (0.39) CYP19A1CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL9834040 0.87 ALDH1A1 (0.39) CYP19A1CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL17223584 0.86 CYP3A4 (0.39) CYP19A1CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL9577990 0.86 CYP3A4 (0.39) CYP19A1CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL15823593 0.86 CYP3A4 (0.39) CYP19A1CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL9835891 0.85 CYP3A4 (0.36) CYP19A1CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL14698323 0.84 CYP19A1 (0.36) CYP19A1CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL9834993 0.84 CYP3A4 (0.37) CYP19A1CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL9833615 0.81 CYP3A4 (0.39) CYP19A1CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL17223582 0.81 CYP3A4 (0.40) CYP19A1CYP3A4ALDH1A1KMT2AMEN1

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
EP-2744792-B1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKYNYLOXY-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2016-10-12 EP disclosed
US-20140243194-A1 Fungicidal substituted 1--1H-[1,2,4]triazole compounds BASF SE (DE) 2014-08-28 US disclosed
EP-2744792-A1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKYNYLOXY-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2014-06-25 EP disclosed
WO-2013024075-A1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKYNYLOXY-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2013-02-21 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-20140243194-A1 Fungicidal substituted 1--1H-[1,2,4]triazole compounds CYP51A1, CYP1B1, TH CYP19A1 380/4885CYP3A4 11/4885ALDH1A1 461/4885

“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.