SCHEMBL17023385

SCHEMBL17023385

N#Cc1[c]cc(C2CC2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AR P10275 17/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL22289676 0.74 AR (0.38) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL17023391 0.73 AR (0.40) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL20815422 0.70 AR (0.31) AR
SCHEMBL19304832 0.70 TDP1 (0.46) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL28593169 0.68 AR (0.41) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL4275051 0.65 NOTUM (0.43) HTR2AHTR2CHTR2B
SCHEMBL3189585 0.65 AR (0.68) AR
SCHEMBL19188001 0.64 KDM4E (0.39) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL15517016 0.64 HTR2C (0.38) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL16950570 0.63 POLB (0.35) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435374-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2019-10-08 US disclosed
US-9802899-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-26 US disclosed
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-08-27 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 (3 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-10435374-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS KDM4E 1583/4885ALDH1A1 2740/4885GAA 2146/4885
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS KDM4E 1583/4885ALDH1A1 2740/4885GAA 2146/4885
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS KDM4E 1583/4885ALDH1A1 2740/4885GAA 2146/4885

“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.