SCHEMBL717144

SCHEMBL717144

O=C(OCc1ccccc1)[C@@H]1CC=CCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 2/20 0.47
MIF P14174 1/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
CYP2C19 P33261 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3306289 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1TSHRMIF
SCHEMBL472070 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1TSHRMIF
SCHEMBL2159645 0.90 ALDH1A1 (0.52) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL19204881 0.85 TSHR (0.50) SMN1; SMN2RAB9ATSHRALDH1A1GAA
SCHEMBL2621303 0.85 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL6666657 0.83 FABP7 (0.58) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL10917021 0.83 FABP7 (0.58) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL280126 0.83 FABP7 (0.58) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL3367169 0.82 FABP7 (0.54) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
Hydrochloric Acid SCHEMBL27765522 0.82 FABP7 (0.57) SMN1; SMN2RAB9ANPC1TSHRALDH1A1

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-20120053349-A1 OXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-01 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-20120053349-A1 OXAMIDE DERIVATIVE SULT1E1, PKD2, PKD1 SMN1; SMN2 466/4885RAB9A 3763/4885NPC1 1425/4885

“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.