SCHEMBL17761981

SCHEMBL17761981

CC(=O)c1cc(CC(C)C)on1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
ALDH1A1 P00352 7/20 0.57
RAB9A P51151 10/20 0.55
NPC1 O15118 8/20 0.55
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
SMN1; SMN2 Q16637 7/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL1128727 0.85 ALDH1A1 (0.57) MAPTALDH1A1RAB9ANPC1S1PR1
SCHEMBL2791167 0.84 ALDH1A1 (0.56) MAPTALDH1A1RAB9ANPC1S1PR1
SCHEMBL3066648 0.84 ALDH1A1 (0.60) MAPTALDH1A1RAB9ANPC1S1PR1
SCHEMBL17761982 0.81 ALDH1A1 (0.50) MAPTALDH1A1RAB9ANPC1S1PR1
SCHEMBL1225966 0.81 ALDH1A1 (0.59) MAPTALDH1A1RAB9ANPC1S1PR1
SCHEMBL21938816 0.81 RAB9A (0.66) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL23189127 0.80 ALDH1A1 (0.52) MAPTALDH1A1RAB9ANPC1S1PR1
SCHEMBL2328124 0.79 NOTUM (0.43) MAPTALDH1A1RAB9ANPC1S1PR1
SCHEMBL14453815 0.77 VHL (0.45) MAPTALDH1A1RAB9ANPC1S1PR1
SCHEMBL18819583 0.77 SMN1; SMN2 (0.40) MAPTALDH1A1RAB9ANPC1S1PR1

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 MAPT 1336/4885ALDH1A1 560/4885RAB9A 2602/4885

“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.