SCHEMBL13601970

SCHEMBL13601970

COc1cccc(-c2ccc(C)s2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
KDR P35968 2/20 0.39
IDH1 O75874 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APLNR P35414 2/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL12133833 0.82 MAPT (0.52) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL10161811 0.80 BTK (0.41) BTKNPC1KDRIDH1TRPV4
SCHEMBL3155981 0.80 BTK (0.61) BTKALDH1A1KDRIDH1HRH3
SCHEMBL14606354 0.76 CCR1 (0.62) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL10130800 0.76 PDE10A (0.39) BTKKDRIDH1HRH3APLNR
SCHEMBL25027832 0.76 BTK (0.46) BTKMAPTKDRIDH1TRPV4
SCHEMBL10058708 0.75 APP (0.45) BTKNPC1ALDH1A1HSD17B10MAPT
SCHEMBL4313732 0.75 ALDH1A1 (0.55) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL19050217 0.74 APP (0.45) NPC1ALDH1A1HSD17B10MAPTGFER
SCHEMBL160602 0.72 BTK (0.47) BTKNPC1ALDH1A1MAPTKDR

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-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 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-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 BTK 1276/4885NPC1 387/4885ALDH1A1 452/4885

“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.