SCHEMBL18869442

SCHEMBL18869442

CCC(C)(C)c1cc(-c2ccccc2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SREBF2 Q12772 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL12529424 0.81 HDAC6 (0.43) HDAC6CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL20132762 0.72 CYP11B1 (0.42) HDAC6CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL18714864 0.72 CYP11B1 (0.42) HDAC6CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL12187101 0.70 HDAC6 (0.36) HDAC6CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL12531530 0.69 CYP11B1 (0.49) HDAC6CYP11B1CYP11B2SMN1; SMN2NPC1
SCHEMBL2600064 0.69 CYP11B1 (0.45) HDAC6CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL19134549 0.69 ALAD (0.42) SMN1; SMN2NPC1LMNAMAPK1RAB9A
SCHEMBL700444 0.69 KIF11 (0.48) SMN1; SMN2NPC1LMNAMAPK1CASP3
SCHEMBL777995 0.68 NPC1 (0.47) SMN1; SMN2NPC1LMNAMAPK1CASP3
SCHEMBL26781853 0.67 HSD17B1 (0.41) HDAC6HSD17B1HSD17B2CYP2E1CYP2A6

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-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 — — 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-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 HDAC6 587/4885CYP11B1 1653/4885CYP11B2 1710/4885

“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.

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