SCHEMBL16455757

SCHEMBL16455757

C=C(C)c1cnc(C)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
ASPH Q12797 1/20 0.35
CES2 O00748 1/20 0.34
POLQ O75417 3/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RBP4 P02753 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AR P10275 1/20 0.32
UHRF1 Q96T88 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL22583123 0.82 GABRP (0.39) PDE3BPDE3AASPHMAPTGABRA5
SCHEMBL16454235 0.81 ASPH (0.35) PDE3BPDE3AASPHCES2POLQ
SCHEMBL17808249 0.81 PDE3B (0.35) PDE3BPDE3AASPHKMT2AMAPT
SCHEMBL27743600 0.79 ASPH (0.43) ASPHCES2POLQRBP4CYP3A4
SCHEMBL17813807 0.78 KDM4E (0.40) HPGDHSD17B10KMT2AMAPTMEN1
SCHEMBL1105997 0.78 ASPH (0.54) ASPHCES2HPGDRBP4CYP3A4
SCHEMBL26333848 0.76 ASPH (0.41) ASPHCES2POLQRBP4CYP3A4
SCHEMBL16454312 0.74 KMT2A (0.46) ASPHCES2CYP3A4CYP2C9CYP2C19
SCHEMBL12302078 0.74 MAPT (0.55) POLQKMT2AMAPTMEN1ALDH1A1
SCHEMBL20320529 0.74 MAPT (0.45) ASPHCES2POLQMAPTALDH1A1

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-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed
WO-2015018432-A1 PYRROLONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 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-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 PDE3B 698/4885PDE3A 543/4885ASPH 1341/4885

“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.