SCHEMBL9835349

SCHEMBL9835349

COC(C)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 4/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP19A1 P11511 4/20 0.39
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 2/20 0.36
HSP90AA1 P07900 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP51A1 Q16850 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL15823160 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4KMT2AMEN1CYP19A1
SCHEMBL17223583 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4KMT2AMEN1CYP19A1
SCHEMBL17366062 0.91 ALDH1A1 (0.39) ALDH1A1CYP3A4KMT2AMEN1CYP19A1
SCHEMBL9834796 0.90 ALDH1A1 (0.42) ALDH1A1CYP3A4KMT2AMEN1CYP19A1
SCHEMBL15707752 0.89 CYP19A1 (0.39) ALDH1A1CYP3A4KMT2AMEN1CYP19A1
SCHEMBL15757192 0.89 ALDH1A1 (0.42) ALDH1A1CYP3A4KMT2AMEN1CYP19A1
SCHEMBL15821872 0.88 CYP3A4 (0.41) ALDH1A1CYP3A4KMT2AMEN1CYP19A1
SCHEMBL14645811 0.88 CYP3A4 (0.41) ALDH1A1CYP3A4KMT2AMEN1CYP19A1
SCHEMBL15823628 0.88 CYP3A4 (0.41) ALDH1A1CYP3A4KMT2AMEN1CYP19A1
SCHEMBL16322817 0.88 ALDH1A1 (0.45) ALDH1A1CYP3A4KMT2AMEN1CYP19A1

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142007-A1 Pesticidal Compositions BASF SE (DE) 2019-05-16 US claimed
EP-3010344-B1 FUNGICIDAL MIXTURES I COMPRISING STROBILURIN-TYPE FUNGICIDES BASF SE (DE) 2017-11-15 EP claimed
US-9763448-B2 Fungicidal mixtures I comprising strobilurin-type fungicides BASF SE (DE) 2017-09-19 US claimed
US-20170202222-A1 PESTICIDAL COMPOSITIONS BASF SE (DE) 2017-07-20 US claimed
US-20170127676-A1 Pesticidal Compositions BASF Agro B.V. (NL) 2017-05-11 US claimed
EP-3111763-A1 PESTICIDAL COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2017-01-04 EP claimed
EP-3028573-A1 USE OF A TRIAZOLE FUNGICIDE ON TRANSGENIC PLANTS BASF SE (DE) 2016-06-08 EP claimed
US-20160150786-A1 Compositions Comprising a Triazole Compound and a Biopesticide BASF Agro B.V. (NL) 2016-06-02 US claimed
US-20160135459-A1 FUNGICIDAL MIXTURES I COMPRISING STROBILURIN-TYPE FUNGICIDES BASF Agro B.V. (NL) 2016-05-19 US claimed
EP-3010344-A1 FUNGICIDAL MIXTURES I COMPRISING STROBILURIN-TYPE FUNGICIDES BASF SE (DE) 2016-04-27 EP claimed
US-20150313225-A1 Compositions Comprising a Triazole Compound BASF SE (DE) 2015-11-05 US claimed
EP-2934146-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF SE (DE) 2015-10-28 EP claimed
EP-2839745-A1 Agrochemical formulations comprising a 2-ethyl-hexanol alkoxylate BASF SE (DE) 2015-02-25 EP claimed
EP-2835052-A1 Fungicidal mixtures comprising pyrimidine fungicides BASF SE (DE) 2015-02-11 EP claimed
WO-2014202421-A1 FUNGICIDAL MIXTURES I COMPRISING STROBILURIN-TYPE FUNGICIDES BASF SE (DE) 2014-12-24 WO claimed
WO-2014095932-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF SE (DE) 2014-06-26 WO claimed
EP-0126430-B1 PROCESS FOR THE PREPARATION OF 1-TRIAZOLYLETHYLETHER-DERIVATIVES, AND MICROBICIDAL COMPOSITIONS CONTAINING NOVEL 1-TRIAZOLYL-PHENOXYPHENYLETHYLETHER-DERIVATIVES AS ACTIVE INGREDIENTS AND THEIR USE CIBA-GEIGY AG (CH) 1991-08-28 EP claimed
EP-0126430-A2 Process for the preparation of 1-triazolylethylether-derivatives, and microbicidal compositions containing novel 1-triazolyl-phenoxyphenylethylether-derivatives as active ingredients and their use CIBA-GEIGY AG (CH) 1984-11-28 EP claimed
US-10981883-B2 Process for the preparation of substituted oxiranes and triazoles BASF Agro B.V. (NL) 2021-04-20 US disclosed
EP-0126430-A2 Process for the preparation of 1-triazolylethylether-derivatives, and microbicidal compositions containing novel 1-triazolyl-phenoxyphenylethylether-derivatives as active ingredients and their use CIBA-GEIGY AG (CH) 1984-11-28 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 (6 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-10981883-B2 Process for the preparation of substituted oxiranes and triazoles OXER1, OXGR1, OXA1L ALDH1A1 573/4885CYP3A4 11/4885KMT2A 1626/4885
US-20150313225-A1 Compositions Comprising a Triazole Compound CYP1B1, CYP3A5, CYP4B1 ALDH1A1 695/4885CYP3A4 8/4885KMT2A 2664/4885
US-20170202222-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, ITPR3 ALDH1A1 2768/4885CYP3A4 1298/4885KMT2A 3221/4885
US-20160135459-A1 FUNGICIDAL MIXTURES I COMPRISING STROBILURIN-TYPE FUNGICIDES STS, SNX1, SFXN1 ALDH1A1 865/4885CYP3A4 195/4885KMT2A 3440/4885
US-20190142007-A1 Pesticidal Compositions ACHE, PTMS, ITPR3 ALDH1A1 3047/4885CYP3A4 859/4885KMT2A 2462/4885
US-20170127676-A1 Pesticidal Compositions ACHE, PTMS, ITPR3 ALDH1A1 3047/4885CYP3A4 859/4885KMT2A 2462/4885

“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.