SCHEMBL17816207

SCHEMBL17816207

CC(C)(C)c1cc(C(F)(F)F)c(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38
MAP4K4 O95819 3/20 0.38
HSD17B10 Q99714 1/20 0.37
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL17808244 0.86 IDO1 (0.44) KDM4EALDH1A1PDE3BPDE3ASMN1; SMN2
SCHEMBL17808303 0.84 S1PR1 (0.42) MAPTHSD17B10NPC1RAB9A
SCHEMBL16454400 0.83 KDM4E (0.46) KDM4EALDH1A1PDE3BPDE3AMEN1
SCHEMBL17808228 0.81 MAP4K4 (0.54) MAP4K4PTGS1PTGS2KCNH2MINK1
SCHEMBL17816210 0.81 KIF11 (0.49) MAP4K4KCNH2
SCHEMBL17816220 0.78 CYP1A2 (0.36) ALDH1A1MAP4K4HSD17B10KCNH2MINK1
SCHEMBL17816451 0.78 KDM4E (0.43) KDM4EALDH1A1PDE3BPDE3AMEN1
SCHEMBL17808307 0.77 PDE3B (0.36) PDE3BPDE3A
SCHEMBL17808242 0.77 CYP2A6 (0.41) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17808226 0.77 ERN1 (0.37) ALDH1A1PDE3BPDE3AMEN1KMT2A

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-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160159781-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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 KDM4E 953/4885ALDH1A1 300/4885PDE3B 698/4885

“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.