SCHEMBL14645476

SCHEMBL14645476

CCC(Cn1cncn1)(OC)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 8/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP19A1 P11511 3/20 0.36
CYP2C9 P11712 7/20 0.35
CYP2C19 P33261 7/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP51A1 Q16850 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
KCNH2 Q12809 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 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
SCHEMBL15823070 1.00 AR (0.39) ARKMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL15824121 1.00 AR (0.39) ARKMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL20997540 0.91 AR (0.38) ARKMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL15823593 0.89 CYP3A4 (0.39) KMT2ACYP3A4ALDH1A1CYP19A1CYP2C9
SCHEMBL9577990 0.89 CYP3A4 (0.39) KMT2ACYP3A4ALDH1A1CYP19A1CYP2C9
SCHEMBL17223584 0.89 CYP3A4 (0.39) KMT2ACYP3A4ALDH1A1CYP19A1CYP2C9
SCHEMBL9833953 0.88 ALDH1A1 (0.39) KMT2ACYP3A4ALDH1A1CYP19A1CYP2C9
SCHEMBL15821872 0.86 CYP3A4 (0.41) ARKMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL14645811 0.86 CYP3A4 (0.41) ARKMT2ACYP3A4ALDH1A1CYP19A1
SCHEMBL15823628 0.86 CYP3A4 (0.41) ARKMT2ACYP3A4ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498098-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2019-06-19 EP claimed
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
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-3160229-A1 PESTICIDAL COMPOSITIONS BASF Agro B.V. (NL) 2017-05-03 EP 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
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
WO-2015197393-A1 PESTICIDAL COMPOSITIONS BASF SE (DE) 2015-12-30 WO claimed
US-20150344445-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2015-12-03 US claimed
EP-2934147-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 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-2015003908-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND AND A BIOPESTICIDE BASF SE (DE) 2015-01-15 WO claimed
WO-2014202421-A1 FUNGICIDAL MIXTURES I COMPRISING STROBILURIN-TYPE FUNGICIDES BASF SE (DE) 2014-12-24 WO claimed
WO-2014095994-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF SE (DE) 2014-06-26 WO claimed

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-20150344445-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND CYP1B1, CYP3A5, CYP4B1 AR 1808/4885KMT2A 2664/4885CYP3A4 8/4885
US-20170202222-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, ITPR3 AR 4699/4885KMT2A 3221/4885CYP3A4 1298/4885
US-20190142007-A1 Pesticidal Compositions ACHE, PTMS, ITPR3 AR 4587/4885KMT2A 2462/4885CYP3A4 859/4885
US-20170127676-A1 Pesticidal Compositions ACHE, PTMS, ITPR3 AR 4587/4885KMT2A 2462/4885CYP3A4 859/4885

“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.