SCHEMBL6370573

SCHEMBL6370573

CC(C)(C)c1ccc(-c2noc(C3CC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
NPC1 O15118 7/20 0.60
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
LMNA P02545 3/20 0.54
HTT P42858 3/20 0.54
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL2028783 0.84 SMN1; SMN2 (0.55) LMNAHTTGAASMN1; SMN2TSHR
SCHEMBL174328 0.82 S1PR4 (0.49) RAB9ANPC1CA12CA1CA2
SCHEMBL174317 0.82 S1PR4 (0.49) RAB9ANPC1CA12CA1CA2
SCHEMBL12188551 0.82 NPC1 (0.85) RAB9ANPC1CA12CA1CA2
SCHEMBL27773657 0.81 SMN1; SMN2 (0.52) RAB9ANPC1LMNAHTTGAA
SCHEMBL162177 0.80 S1PR4 (0.49) L3MBTL1LMNAHTTGAASMN1; SMN2
SCHEMBL174329 0.80 S1PR4 (0.49) L3MBTL1LMNAHTTGAASMN1; SMN2
SCHEMBL12580564 0.80 HDAC4 (0.56) LMNAHTTGAASMN1; SMN2TSHR
SCHEMBL25338113 0.79 CA12 (0.66) RAB9ANPC1CA12CA1CA2
SCHEMBL21889825 0.79 CA12 (0.61) RAB9ANPC1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 RAB9A 2153/4885NPC1 2064/4885CA12 4670/4885

“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.