SCHEMBL17808239

SCHEMBL17808239

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 5/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 3/20 0.34
S1PR1 P21453 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
PLAU P00749 1/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 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
SCHEMBL17808214 0.93 HTT (0.37) ARALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL17808286 0.87 CNR1 (0.35) AAK1S1PR4CYP3A4
SCHEMBL17808279 0.86 PDE3B (0.39) ARALDH1A1HTTKDM4EKMT2A
SCHEMBL17808213 0.85 S1PR1 (0.38) ARS1PR1AAK1S1PR4CYP1A2
SCHEMBL17808284 0.85 S1PR1 (0.38) KMT2AS1PR1AAK1S1PR4CYP3A4
SCHEMBL17813855 0.83 AR (0.41) ARALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL17808241 0.82 HTR2A (0.39) HPGDAAK1LMNACYP3A4ALOX15
SCHEMBL17808262 0.81 AAK1 (0.32) KDM4EAAK1
SCHEMBL17808289 0.79 CYP11B1 (0.45) S1PR1S1PR4
SCHEMBL17808290 0.79 MAOA (0.38) ALDH1A1HTTHPGDKDM4ES1PR1

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 3 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-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 4168/4885ALDH1A1 300/4885HTT 2131/4885

“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.