SCHEMBL9946140

SCHEMBL9946140

CC(=O)c1ccc(C2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD17B1 P14061 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
NLRP1 Q9C000 1/20 0.37
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL488607 0.85 TSHR (0.46) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL21816954 0.83 MAPK1 (0.41) SMN1; SMN2RAB9ANPC1MAPK1LMNA
SCHEMBL17863581 0.81 MAPK1 (0.37) SMN1; SMN2RAB9ANPC1MAPK1KMT2A
SCHEMBL9946139 0.79 ALDH1A1 (0.44) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL23063924 0.77 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1L3MBTL1MAPT
SCHEMBL9946133 0.77 POLB (0.41) SMN1; SMN2RAB9ANPC1MAPK1L3MBTL1
SCHEMBL4623636 0.76 KMT2A (0.43) SMN1; SMN2RAB9ANPC1MAPK1L3MBTL1
SCHEMBL23063803 0.75 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL1429353 0.74 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPK1L3MBTL1
SCHEMBL9946167 0.74 HPGD (0.59) MAPK1L3MBTL1HPGDKMT2AALDH1A1

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 SMN1; SMN2 3273/4885RAB9A 1191/4885NPC1 1529/4885

“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.