SCHEMBL875232

SCHEMBL875232

COc1ccc2c(c1)C(=O)[C@@]1(C)OCCC[C@@H]1O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
PPIB P23284 1/20 0.43
ABCB1 P08183 1/20 0.43
AR P10275 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL892255 0.69 PDE7A (0.38) ALDH1A1MAPK1CYP3A4HTR7HTR2B
SCHEMBL891871 0.68 BACE1 (0.38)
SCHEMBL874411 0.68 KDM4E (0.48) ABCB1ARABCG2NPC1RAB9A
SCHEMBL891892 0.67 BACE1 (0.51)
SCHEMBL11642146 0.64 ABCB1 (0.41) BCHEABCB1ARABCG2NPC1
SCHEMBL12264771 0.64 ABCB1 (0.66) ABCB1ARABCG2NPC1RAB9A
SCHEMBL11381876 0.64 ABCB1 (0.66) ABCB1ARABCG2NPC1RAB9A
SCHEMBL7631975 0.63 GRIA1 (0.56) ABCB1ARABCG2NPC1RAB9A
SCHEMBL7631979 0.63 GRIA1 (0.56) ABCB1ARABCG2NPC1RAB9A
SCHEMBL19737857 0.63 KDM4E (0.55) BCHEABCB1ARABCG2NPC1

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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 WO 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 BCHE 21/4885PPIB 621/4885ABCB1 369/4885

“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.