SCHEMBL17223573

SCHEMBL17223573

CCC[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 7/20 0.43
CYP2C19 P33261 7/20 0.43
CYP19A1 P11511 2/20 0.43
HSP90AA1 P07900 2/20 0.43
LMNA P02545 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ADRA1A P35348 1/20 0.43
CYP51A1 Q16850 1/20 0.43
KMT2A Q03164 1/20 0.43
AR P10275 2/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 2/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 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
SCHEMBL15825100 1.00 CYP3A4 (0.43) CYP3A4ALDH1A1CYP2C9CYP2C19CYP19A1
SCHEMBL15572502 1.00 CYP3A4 (0.43) CYP3A4ALDH1A1CYP2C9CYP2C19CYP19A1
SCHEMBL29367541 1.00 CYP3A4 (0.43) CYP3A4ALDH1A1CYP2C9CYP2C19CYP19A1
SCHEMBL15822013 0.92 CYP3A4 (0.45) CYP3A4ALDH1A1CYP2C9CYP2C19CYP19A1
SCHEMBL29367659 0.92 CYP3A4 (0.45) CYP3A4ALDH1A1CYP2C9CYP2C19CYP19A1
SCHEMBL14645417 0.92 CYP3A4 (0.45) CYP3A4ALDH1A1CYP2C9CYP2C19CYP19A1
SCHEMBL30204751 0.92 CYP3A4 (0.45) CYP3A4ALDH1A1CYP2C9CYP2C19CYP19A1
SCHEMBL17289535 0.92 CYP3A4 (0.45) CYP3A4ALDH1A1CYP2C9CYP2C19CYP19A1
SCHEMBL15961536 0.92 CYP3A4 (0.51) CYP3A4ALDH1A1CYP2C9CYP2C19CYP19A1
SCHEMBL17307134 0.91 CYP3A4 (0.44) CYP3A4ALDH1A1CYP2C9CYP2C19CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142007-A1 Pesticidal Compositions BASF SE (DE) 2019-05-16 US disclosed
US-10206403-B2 Pesticidal compositions BASF SE (DE) 2019-02-19 US disclosed
EP-3272217-A1 PESTICIDAL COMPOSITIONS BASF Agro B.V. (NL) 2018-01-24 EP disclosed
EP-3269245-A1 PESTICIDAL COMPOSITIONS Basf Agro B.V. Arnhem (NL) (NL) 2018-01-17 EP disclosed
US-20170202222-A1 PESTICIDAL COMPOSITIONS BASF SE (DE) 2017-07-20 US disclosed
EP-3169157-A1 PESTICIDAL COMPOSITIONS BASF SE (DE) 2017-05-24 EP disclosed
US-20170127676-A1 Pesticidal Compositions BASF Agro B.V. (NL) 2017-05-11 US disclosed
WO-2016008740-A1 PESTICIDAL COMPOSITIONS BASF SE (DE) 2016-01-21 WO disclosed
US-20150313225-A1 Compositions Comprising a Triazole Compound BASF SE (DE) 2015-11-05 US 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 (5 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 695/4885CYP2C9 10/4885
US-20170202222-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, ITPR3 CYP3A4 1298/4885ALDH1A1 2768/4885CYP2C9 1760/4885
US-10206403-B2 Pesticidal compositions ACHE, DDT, ITPR3 CYP3A4 1298/4885ALDH1A1 2768/4885CYP2C9 1760/4885
US-20190142007-A1 Pesticidal Compositions ACHE, PTMS, ITPR3 CYP3A4 859/4885ALDH1A1 3047/4885CYP2C9 683/4885
US-20170127676-A1 Pesticidal Compositions ACHE, PTMS, ITPR3 CYP3A4 859/4885ALDH1A1 3047/4885CYP2C9 683/4885

“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.