SCHEMBL8515318

SCHEMBL8515318

COc1ccc2c(c1)C(=O)C1OCCCC1(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.43
CYP19A1 P11511 3/20 0.42
KDM4E B2RXH2 7/20 0.41
KLK7 P49862 1/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MALT1 Q9UDY8 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
HIF1A Q16665 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
SCHEMBL12490443 1.00 PPIB (0.43) PPIBCYP19A1KDM4EKLK7ALDH1A1
SCHEMBL8515320 1.00 PPIB (0.43) PPIBCYP19A1KDM4EKLK7ALDH1A1
SCHEMBL8512844 0.85 PPIB (0.38) PPIBCYP19A1KDM4EKLK7ALDH1A1
SCHEMBL8512845 0.85 PPIB (0.38) PPIBCYP19A1KDM4EKLK7ALDH1A1
SCHEMBL10279956 0.85 PPIB (0.38) PPIBCYP19A1KDM4EKLK7ALDH1A1
SCHEMBL12489864 0.82 PBRM1 (0.38) CYP19A1KDM4ESMN1; SMN2MALT1HTT
SCHEMBL12489867 0.82 PBRM1 (0.38) CYP19A1KDM4ESMN1; SMN2MALT1HTT
SCHEMBL9882483 0.76 PBRM1 (0.40) CYP19A1SMN1; SMN2MALT1HTTMEN1
SCHEMBL8515666 0.76 PBRM1 (0.40) CYP19A1SMN1; SMN2MALT1HTTMEN1
SCHEMBL7630550 0.68 PPIB (0.44) PPIBCYP19A1KDM4EKLK7ALDH1A1

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 PPIB 621/4885CYP19A1 2497/4885KDM4E 3940/4885

“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.