SCHEMBL2895412

SCHEMBL2895412

CC(C)COc1ccc(C=Cc2cc[nH]c(=O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
TP53 P04637 2/20 0.43
MTOR P42345 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PMP22 Q01453 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
APP P05067 3/20 0.42
XDH P47989 2/20 0.42

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
SCHEMBL2895408 0.75 SCN8A (0.41) NPC1TP53CYP2D6HSD17B10SMN1; SMN2
SCHEMBL2895409 0.75 SCN8A (0.41) NPC1TP53CYP2D6HSD17B10SMN1; SMN2
SCHEMBL21925693 0.74 MTOR (0.73) NPC1TP53MTORCYP3A4CYP2D6
SCHEMBL7534905 0.74 MTOR (0.73) NPC1TP53MTORCYP3A4CYP2D6
SCHEMBL1002245 0.71 IP6K1 (0.53) APP
SCHEMBL1002244 0.71 IP6K1 (0.53) APP
SCHEMBL2881273 0.71 AHR (0.53) NPC1HSD17B10KDM4EMAPTRAB9A
SCHEMBL2881271 0.71 AHR (0.53) NPC1HSD17B10KDM4EMAPTRAB9A
SCHEMBL2881704 0.70 NOTUM (0.52) MAPK1KDM4ELMNAHPGDRELA
SCHEMBL970318 0.70 ALDH1A3 (0.57) NPC1TP53MTORCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR NPC1 4658/4885TP53 4559/4885MTOR 4070/4885

“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.