SCHEMBL17813855

SCHEMBL17813855

COCCOc1cnc(C)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
AAK1 Q2M2I8 3/20 0.40
S1PR4 O95977 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CACNA1H O95180 1/20 0.37
HSD17B10 Q99714 3/20 0.36
PLAU P00749 1/20 0.35
S1PR1 P21453 1/20 0.35
LRRK2 Q5S007 2/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 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
SCHEMBL16455678 0.92 AAK1 (0.39) ARAAK1S1PR4ALDH1A1KDM4E
SCHEMBL17813886 0.85 AAK1 (0.41) ARAAK1S1PR4ALDH1A1KDM4E
SCHEMBL16455748 0.84 AAK1 (0.41) AAK1S1PR4
SCHEMBL16455750 0.83 S1PR1 (0.40) AAK1S1PR4KMT2AS1PR1LRRK2
SCHEMBL16455747 0.83 S1PR1 (0.40) ARAAK1S1PR4KMT2AS1PR1
SCHEMBL17808239 0.83 AR (0.39) ARAAK1S1PR4ALDH1A1KDM4E
SCHEMBL17813878 0.80 HTR2A (0.42) AAK1ALDH1A1HPGDHSD17B10LRRK2
SCHEMBL17813883 0.80 AAK1 (0.38) AAK1S1PR4KDM4ELRRK2
SCHEMBL16455680 0.77 CYP11B1 (0.47) AAK1S1PR4S1PR1
SCHEMBL17813816 0.77 MAOA (0.40) ARAAK1S1PR4S1PR1TSHR

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-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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 (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-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 AR 4168/4885AAK1 1174/4885S1PR4 3327/4885

“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.