SCHEMBL8515481

SCHEMBL8515481

COc1ccc(CC2(C)CCOCC2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FKBP1A P62942 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LDHA P00338 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL8515869 0.79 GLA (0.37) ALDH1A1MAPTFKBP1ASMN1; SMN2MEN1
SCHEMBL9882477 0.79 CYP2D6 (0.40) ALDH1A1MAPTPOLBFKBP1ASMN1; SMN2
SCHEMBL2200899 0.68 ALDH1A1 (0.50) ALDH1A1HTTPOLBL3MBTL1SMN1; SMN2
SCHEMBL8515475 0.67 GLA (0.40) ALDH1A1HTTMAPTL3MBTL1FKBP1A
SCHEMBL874467 0.67 CA1 (0.44) HTTFKBP1ALDHAKMT2A
SCHEMBL6626906 0.65 ALDH1A1 (0.48) ALDH1A1HTTMAPTPOLBSMN1; SMN2
SCHEMBL29002709 0.65 GLA (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL28125189 0.65 ALDH1A1 (0.39) ALDH1A1KDM4EHTTMAPTL3MBTL1
SCHEMBL6627416 0.64 ITGB1 (0.47) ALDH1A1MAPTPOLBSMN1; SMN2LDHA
SCHEMBL8355738 0.64 ALDH1A1 (0.47) ALDH1A1HTTPOLBL3MBTL1SMN1; SMN2

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 4 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
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
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

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 ALDH1A1 2346/4885KDM4E 3940/4885HTT 30/4885

“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.