SCHEMBL18819780

SCHEMBL18819780

CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ PPARD Q03181 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ UTRN P46939 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL18795095 0.86 CYP1A2 (0.40) ALPLCYP1A2AHRUTRNHDAC6
SCHEMBL18819691 0.84 UTRN (0.47) CYP1A2AHRUTRNHDAC6KMT2A
SCHEMBL29431583 0.83 DDR1 (0.36) DDR1KMT2AS1PR1LMNAHTT
SCHEMBL15933389 0.83 DDR1 (0.36) DDR1KMT2AS1PR1LMNAHTT
SCHEMBL15412321 0.83 KMT2A (0.44) CNR2UTRNDDR1KMT2AS1PR1
SCHEMBL18498722 0.82 ALOX5AP (0.35) UTRNDDR1S1PR1POLB
SCHEMBL18819410 0.80 TLR8 (0.33) CNR1CNR2KMT2AS1PR1POLB
SCHEMBL20607635 0.79 DDR1 (0.35) CNR1CNR2DDR1S1PR1LMNA
SCHEMBL18819819 0.78 S1PR1 (0.32) CNR1CNR2S1PR1
SCHEMBL17231835 0.78 PTGS2 (0.36) DDR1KMT2APOLBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
WO-2017072039-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 — — 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 (1 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-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE CNR1 415/4885CNR2 485/4885PPARD 1969/4885

“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.

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