SCHEMBL9946151

SCHEMBL9946151

CC(=O)Oc1ccc(C2OC(C)(C)C(C)(C)O2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.41
ACHE P22303 2/20 0.38
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 6/20 0.37
GAA P10253 6/20 0.37
TSHR P16473 4/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
GBA1 P04062 1/20 0.36
CFD P00746 2/20 0.36
MAPT P10636 4/20 0.36
GLA P06280 4/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL9946138 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EGAARAB9AHTT
SCHEMBL9946137 0.76 CYP3A4 (0.51) ACHEALDH1A1RAB9AHTTHSD17B10
SCHEMBL9946134 0.73 ESR1 (0.46) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL9946136 0.71 L3MBTL1 (0.48) ACHEALDH1A1KDM4ETSHRHTT
SCHEMBL1799618 0.70 LMNA (0.52) ACHEALDH1A1KDM4EGAATSHR
SCHEMBL10496476 0.70 CFD (0.61) NR3C1ACHEALDH1A1KDM4EGAA
SCHEMBL15816645 0.69 NR3C1 (0.52) NR3C1ACHEALDH1A1GAARAB9A
SCHEMBL2541390 0.69 KDM4E (0.58) ACHEALDH1A1KDM4EGAATSHR
SCHEMBL30874127 0.69 CYP3A4 (0.48) ACHEALDH1A1KDM4EGAATSHR
SCHEMBL29535063 0.69 KDM4E (0.58) ACHEALDH1A1KDM4EGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 NR3C1 149/4885ACHE 3196/4885ALDH1A1 4010/4885

“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.