SCHEMBL15445801

SCHEMBL15445801

CCOc1cc(Cl)c(C(C)C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.42
PTGS2 P35354 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MAPK1 P28482 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
LTA4H P09960 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
SCHEMBL16575410 0.78 NQO1 (0.42) NQO1PTGS2L3MBTL1TDP1TSHR
SCHEMBL13681506 0.78 NQO1 (0.42) NQO1PTGS2L3MBTL1TDP1TSHR
SCHEMBL13748051 0.78 POLB (0.38) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL14477684 0.78 POLB (0.38) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL21725535 0.78 NQO1 (0.48) NQO1L3MBTL1TDP1TSHRKMT2A
SCHEMBL15334797 0.77 NQO1 (0.46) NQO1L3MBTL1TDP1TSHRKMT2A
SCHEMBL28069071 0.77 NQO1 (0.46) NQO1L3MBTL1TDP1TSHRKMT2A
SCHEMBL24595080 0.76 NQO1 (0.37) NQO1L3MBTL1KMT2AALDH1A1
SCHEMBL13755151 0.76 NQO1 (0.44) NQO1L3MBTL1TDP1TSHRKMT2A
SCHEMBL15771837 0.76 TSHR (0.46) NQO1L3MBTL1TDP1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 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-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NQO1 3582/4885PTGS2 2346/4885L3MBTL1 2859/4885

“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.