Sugi Predict

Sugi Predict / Compounds / SCHEMBL9577990

SCHEMBL9577990

SCHEMBL9577990

CCC(Cn1cncn1)(OC)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP19A1 P11511 6/20 0.38
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ CYP51A1 Q16850 1/20 0.34

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
SCHEMBL15823593 1.00 CYP3A4 (0.39) CYP3A4ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL17223584 1.00 CYP3A4 (0.39) CYP3A4ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL17223582 0.92 CYP3A4 (0.40) CYP3A4ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL15824213 0.92 CYP3A4 (0.40) CYP3A4ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL9835462 0.92 CYP3A4 (0.40) CYP3A4ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL9833953 0.91 ALDH1A1 (0.39) CYP3A4ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL15770528 0.91 CYP3A4 (0.39) CYP3A4ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL15844254 0.90 ALDH1A1 (0.41) CYP3A4ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL9835425 0.89 CYP3A4 (0.41) CYP3A4ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL15823070 0.89 AR (0.39) CYP3A4ALDH1A1KMT2AMEN1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3169157-A1 PESTICIDAL COMPOSITIONS BASF SE (DE) 2017-05-24 — — EP claimed
US-20170127676-A1 Pesticidal Compositions BASF Agro B.V. (NL) 2017-05-11 — — US claimed
EP-3028573-A1 USE OF A TRIAZOLE FUNGICIDE ON TRANSGENIC PLANTS BASF SE (DE) 2016-06-08 — — EP claimed
WO-2016078995-A1 PESTICIDAL COMPOSITIONS BASF Agro B.V. (NL) 2016-05-26 — — WO 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
WO-2016008740-A1 PESTICIDAL COMPOSITIONS BASF SE (DE) 2016-01-21 — — WO 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
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-0354183-B1 MICROBICIDAL AGENTS CIBA-GEIGY AG (CH) 1993-01-20 — — EP 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
US-4940720-A FUNGICIDES, FENPLONIL, TRIAZOLE, SYNERGISTIC CIBA-GEIGY CORPORATION (US) 1990-07-10 — — US 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
JP-2083304-A — — None — — JP disclosed
JP-H00283304-A — — 0001-01-01 — — JP 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 (4 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-20150313225-A1 Compositions Comprising a Triazole Compound CYP1B1, CYP3A5, CYP4B1 CYP3A4 8/4885ALDH1A1 695/4885KMT2A 2664/4885
US-20170202222-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, ITPR3 CYP3A4 1298/4885ALDH1A1 2768/4885KMT2A 3221/4885
US-20160135459-A1 FUNGICIDAL MIXTURES I COMPRISING STROBILURIN-TYPE FUNGICIDES STS, SNX1, SFXN1 CYP3A4 195/4885ALDH1A1 865/4885KMT2A 3440/4885
US-20170127676-A1 Pesticidal Compositions ACHE, PTMS, ITPR3 CYP3A4 859/4885ALDH1A1 3047/4885KMT2A 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.