SCHEMBL17816451

SCHEMBL17816451

CCc1cc(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
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
USP7 Q93009 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
PIK3CD O00329 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL16454400 0.81 KDM4E (0.46) KDM4EALDH1A1PDE3BPDE3ANPSR1
SCHEMBL17816207 0.78 KDM4E (0.43) KDM4EALDH1A1PTGS1PTGS2PDE3B
SCHEMBL12329889 0.76 NOTUM (0.36) ALDH1A1POLBPROKR1NOTUM
SCHEMBL20288406 0.73 MBOAT4 (0.45) AKR1C3AKR1C2POLBL3MBTL1PIK3CD
SCHEMBL25164620 0.71 RXRA (0.38)
SCHEMBL10233515 0.71 GPBAR1 (0.39) KDM4EALDH1A1GLAPROKR1MEN1
SCHEMBL3840884 0.70 PDE3B (0.50) KDM4EALDH1A1AKR1C3AKR1C2PDE3B
SCHEMBL19485462 0.69 MBOAT4 (0.45) PROKR1NOTUM
SCHEMBL22184935 0.69 PTGS1 (0.47) KDM4EALDH1A1USP7PTGS1PTGS2
SCHEMBL14211872 0.67 AR (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 300/4885AKR1C3 47/4885

“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.