SCHEMBL790296

SCHEMBL790296

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
AKR1C3 P42330 2/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NSD2 O96028 1/20 0.38
LMNA P02545 1/20 0.38
LGMN Q99538 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PRKDC P78527 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
SCHEMBL13717675 0.89 MAPT (0.51) ALDH1A1AKR1C3MAPTSMN1; SMN2GAA
SCHEMBL790920 0.87 ALDH1A3 (0.47) ALDH1A1MAPTSMN1; SMN2GAAALDH1A3
SCHEMBL29554269 0.86 MAPT (0.40) ALDH1A1MAPTGAAL3MBTL1IDO1
SCHEMBL1934039 0.86 MAPT (0.40) ALDH1A1MAPTGAAL3MBTL1IDO1
SCHEMBL15788039 0.84 LPL (0.36) ALDH1A1AKR1C3MAPTSMN1; SMN2GAA
SCHEMBL17403823 0.84 HTR3A (0.50) LPLLIPG
SCHEMBL13718438 0.84 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL29508091 0.84 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL25932309 0.84 LATS1 (0.38) MAPTIDO1TDO2LPLLIPG
Hydrochloric Acid SCHEMBL15774889 0.83 HTR3A (0.49) ALDH1A1MAPTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 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 (2 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 ALDH1A1 305/4885AKR1C3 86/4885MAPT 3798/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 ALDH1A1 305/4885AKR1C3 86/4885MAPT 3798/4885

“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.