SCHEMBL178513

SCHEMBL178513

C/C(=C/C(C)(C)C)c1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 3/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HPGD P15428 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
PTGS2 P35354 1/20 0.30
MYC P01106 1/20 0.30

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
SCHEMBL9638138 0.79 NPC1 (0.62) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL10546687 0.79 NPC1 (0.62) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL11116579 0.75 NPC1 (0.57) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL5718619 0.74 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29512561 0.74 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29354646 0.74 NPC1 (0.64) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL78159 0.74 NPC1 (0.64) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL2797053 0.74 NPC1 (0.59) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL31309385 0.74 NPC1 (0.59) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29007118 0.73 NPC1 (0.55) NPC1RAB9ALMNAALDH1A1SMN1; SMN2

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-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES BASF SE (DE) 2012-03-08 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-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES SULT1A1, TPST2, SULT2A1 NPC1 4231/4885RAB9A 4877/4885LMNA 3686/4885

“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.