SCHEMBL874411

SCHEMBL874411

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
HIF1A Q16665 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ABCB1 P08183 1/20 0.47
AR P10275 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
CYP19A1 P11511 2/20 0.46

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
SCHEMBL875033 0.80 PBRM1 (0.43) ALDH1A1SMN1; SMN2HTTMEN1POLB
SCHEMBL11642146 0.76 ABCB1 (0.41) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17708769 0.73 CYP19A1 (0.56) CYP3A4CYP19A1GAA
SCHEMBL19737857 0.70 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL874367 0.70 MAP3K5 (0.34) ALDH1A1SMN1; SMN2POLBKMT2AMAPT
SCHEMBL17708802 0.68 CYP19A1 (0.40) ALDH1A1MEN1CYP3A4KMT2ACYP19A1
SCHEMBL17708805 0.68 CYP19A1 (0.40) ALDH1A1MEN1CYP3A4KMT2ACYP19A1
SCHEMBL875232 0.68 BCHE (0.47) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8515320 0.68 PPIB (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8515318 0.68 PPIB (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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 KDM4E 3940/4885ALDH1A1 2346/4885SMN1; SMN2 54/4885

“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.