SCHEMBL20616902

SCHEMBL20616902

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccccc2C(F)(F)F)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.43
TRPA1 O75762 3/20 0.39
HSD11B1 P28845 5/20 0.38
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CTSK P43235 1/20 0.34
PGR P06401 1/20 0.34
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL20617311 0.92 AR (0.44) ARTRPA1HSD11B1ALDH1A1GLA
SCHEMBL20616901 0.91 AR (0.43) ARTRPA1HSD11B1ALDH1A1GLA
SCHEMBL20616922 0.90 AR (0.48) ARTRPA1HSD11B1ALDH1A1PDE10A
SCHEMBL20616920 0.89 AR (0.42) ARTRPA1HSD11B1ALDH1A1GLA
SCHEMBL20617316 0.88 AR (0.41) ARTRPA1HSD11B1ALDH1A1GLA
SCHEMBL21898493 0.87 AR (0.40) ARALDH1A1GLAGAALMNA
SCHEMBL25659180 0.86 LMNA (0.35) ARALDH1A1GLAGAALMNA
SCHEMBL20111858 0.86 KIF11 (0.36) ARALDH1A1GLAGAALMNA
SCHEMBL20111863 0.86 KIF11 (0.37) ARALDH1A1GLAGAALMNA
SCHEMBL25659164 0.86 PTGER4 (0.33) ARALDH1A1GLAGAALMNA

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-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 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-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, ORAI3 AR 4351/4885TRPA1 203/4885HSD11B1 3009/4885

“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.