SCHEMBL13698663

SCHEMBL13698663

BN(CC)Cc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
ALOX5 P09917 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL1642904 0.79 HTT (0.50) RIPK1ALOX5TRPM8HTTKDM4E
SCHEMBL2806112 0.79 HTT (0.50) RIPK1ALOX5TRPM8HTTKDM4E
Ammonia Solution, Strong SCHEMBL23877941 0.78 HTT (0.49) RIPK1ALOX5TRPM8HTTKDM4E
SCHEMBL10241255 0.78 RIPK1 (0.50) RIPK1ALOX5TRPM8HTTKDM4E
SCHEMBL733240 0.74
SCHEMBL28948440 0.74 KDM4E (0.51) RIPK1ALOX5HTTKDM4EPOLB
SCHEMBL6952454 0.73 KDM4E (0.56) RIPK1ALOX5HTTKDM4EPOLB
SCHEMBL8279945 0.72 TRPM8 (0.51) RIPK1ALOX5TRPM8POLBMAPT
SCHEMBL8634675 0.72 TSHR (0.56) RIPK1ALOX5HTTKDM4EPOLB
SCHEMBL5931188 0.71

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-20090239858-A1 THERAPEUTIC AMIDES ALLERGAN, INC. (US) 2009-09-24 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-20090239858-A1 THERAPEUTIC AMIDES ACER2, SLC10A1, ASAH2 RIPK1 4867/4885ALOX5 170/4885TRPM8 2419/4885

“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.