SCHEMBL17413331

SCHEMBL17413331

Cc1ccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
NR5A2 O00482 1/20 0.48
NR5A1 Q13285 1/20 0.48
NPC1 O15118 3/20 0.47
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL17413289 0.90 RAB9A (0.58) RAB9ASMN1; SMN2MAPTTP53NPC1
SCHEMBL25999795 0.89 RAB9A (0.56) RAB9ASMN1; SMN2MAPTTP53NPC1
SCHEMBL16147472 0.86 NR1H4 (0.52) RAB9ASMN1; SMN2MAPTNR5A2NR5A1
SCHEMBL20305839 0.86 NR5A2 (0.46) RAB9ASMN1; SMN2MAPTNR5A2NR5A1
SCHEMBL28772807 0.84 RAB9A (0.46) RAB9ASMN1; SMN2MAPTNR5A2NR5A1
SCHEMBL16147357 0.84 ALDH1A1 (0.51) RAB9ASMN1; SMN2MAPTNR5A2NR5A1
SCHEMBL30554594 0.83 MAPT (0.57) RAB9ASMN1; SMN2MAPTTP53NPC1
SCHEMBL3166099 0.83 MAPT (0.57) RAB9ASMN1; SMN2MAPTTP53NPC1
SCHEMBL20305922 0.82 RAB9A (0.58) RAB9ASMN1; SMN2MAPTTP53NPC1
SCHEMBL2787082 0.81 MEN1 (0.46) NR5A2NR5A1KMT2AALDH1A1POLB

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-20160000745-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES MOLECULE X LLC 2016-01-07 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-20160000745-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES GPR119, CPT1B, CPT2 RAB9A 3749/4885SMN1; SMN2 2914/4885MAPT 3006/4885

“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.