SCHEMBL21466382

SCHEMBL21466382

CC(C)c1cccc(-c2cc(-c3ccccc3)on2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.64
▸ NPC1 O15118 7/20 0.64
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58
▸ PTGS2 P35354 2/20 0.51
▸ PPARG P37231 2/20 0.50
▸ PPARA Q07869 2/20 0.50
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CXCR1 P25024 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ CYP2C19 P33261 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
SCHEMBL17019497 0.86 NPC1 (0.71) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28680088 0.86 NPC1 (0.71) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL29626602 0.82 NPC1 (0.60) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28741820 0.82 NPC1 (0.60) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL19196256 0.80 RAB9A (0.78) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL12171379 0.79 MAPT (0.53) RAB9ANPC1CASP3SENP8SENP7
3,5-Diphenylisoxazole SCHEMBL1421260 0.79 NPC1 (1.00) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL18122022 0.79 NPC1 (0.73) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL18852461 0.78 BRD4 (0.43) NPC1LMNAMAPTMEN1KMT2A
SCHEMBL8258186 0.77 NPC1 (0.96) RAB9ANPC1CASP3SENP8SENP7

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-10442788-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-10-15 — — 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-10442788-B2 Hepatitis B antiviral agents ZC3HAV1, ZC3HAV1L, HAVCR2 RAB9A 1062/4885NPC1 472/4885CASP3 2058/4885

“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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