SCHEMBL13015189

SCHEMBL13015189

COC(=O)c1ccc(C2=NCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.42
RXRA P19793 3/20 0.42
CFTR P13569 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.35
PRF1 P14222 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
RXRG P48443 2/20 0.33
GPR52 Q9Y2T5 2/20 0.33
BDKRB1 P46663 1/20 0.33
PDK2 Q15119 1/20 0.32
IDH1 O75874 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
NOTUM Q6P988 1/20 0.32
RUVBL1 Q9Y265 1/20 0.32
CYP1A2 P05177 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
SCHEMBL319756 0.89 PDK2 (0.40) RXRBRXRACFTRPRF1NPC1
SCHEMBL319708 0.89 RXRB (0.56) RXRBRXRAGPBAR1RXRGGPR52
SCHEMBL16433556 0.87 RXRB (0.43) RXRBRXRACFTRGPBAR1PRF1
SCHEMBL1806024 0.83 RXRA (0.38) RXRBRXRAGPR52
SCHEMBL1806466 0.82 RXRA (0.37) RXRBRXRASMN1; SMN2
SCHEMBL1806467 0.82 RXRA (0.37) RXRBRXRA
SCHEMBL1804699 0.81 RXRA (0.36) RXRBRXRA
SCHEMBL3653852 0.81 RXRA (0.36) RXRBRXRA
SCHEMBL1805563 0.79 MEN1 (0.33) NPC1RAB9ASMN1; SMN2RUVBL1
SCHEMBL31622456 0.79 RXRA (0.41) RXRBRXRACFTRGPBAR1PRF1

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-10364235-B2 Insecticidal compounds Synenta Crop Protection LLC (US) 2019-07-30 US disclosed
US-20180065956-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2018-03-08 US disclosed
US-9834546-B2 Insecticidal compounds SYNGENTA LIMITED (GB) 2017-12-05 US disclosed
US-20170022187-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2017-01-26 US disclosed
US-9493445-B2 Insecticidal compounds SYNGENTA LIMITED (GB) 2016-11-15 US disclosed
US-20150111944-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-23 US disclosed
US-8946447-B2 Insecticidal compounds SYNGENTA LIMITED (GB) 2015-02-03 US disclosed
EP-2445906-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-07-23 EP disclosed
WO-2010149506-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-12-29 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 (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-20170022187-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 RXRB 4248/4885RXRA 3976/4885CFTR 1092/4885
US-20150111944-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 RXRB 4248/4885RXRA 3976/4885CFTR 1092/4885
US-10364235-B2 Insecticidal compounds ACHE, CHRM1, NIT2 RXRB 4248/4885RXRA 3976/4885CFTR 1092/4885
US-20180065956-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 RXRB 4248/4885RXRA 3976/4885CFTR 1092/4885

“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.