SCHEMBL16844660

SCHEMBL16844660

CCCCCc1ccoc1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
TYR P14679 2/20 0.38
ALOX5 P09917 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS2 P35354 2/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL3933030 0.94 CTRC (0.38) LIPGTYRALOX5TP53CYP3A4
SCHEMBL27823063 0.90 LIPG (0.40) LIPGTYRALOX5TP53CYP3A4
SCHEMBL28522920 0.88 LIPG (0.43) LIPGTYRALOX5TP53CYP3A4
SCHEMBL12462036 0.85
SCHEMBL28858957 0.83 CTRC (0.39) LIPGTYRALOX5TP53CYP3A4
SCHEMBL18825694 0.82 LIPG (0.38) LIPGTYRALOX5TP53CYP3A4
SCHEMBL9628732 0.78
SCHEMBL1936139 0.78 ALDH1A1 (0.42) LIPGTYRALOX5TP53CYP3A4
SCHEMBL27729329 0.78 TYR (0.47) LIPGTYRALOX5TP53CYP3A4
SCHEMBL1201096 0.77 THRB (0.34) LIPGTYRALOX5TP53CYP3A4

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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 LIPG 2693/4885TYR 1253/4885ALOX5 1635/4885

“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.