SCHEMBL18355358

SCHEMBL18355358

CC(C)(C)Oc1ccc2c(c1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.46
PKM P14618 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SLC2A1 P11166 1/20 0.42
DRD2 P14416 3/20 0.41
DRD1 P21728 3/20 0.41
DRD4 P21917 3/20 0.41
DRD5 P21918 3/20 0.41
DRD3 P35462 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL20456250 0.96 STS (0.50) STSPKMTSHRALOX15HSD17B10
SCHEMBL21217282 0.92 DRD1 (0.41) STSPKMTSHRALOX15HSD17B10
SCHEMBL28141345 0.80 TRPV1 (0.56) STSTSHRALOX15HSD17B10ALDH1A1
SCHEMBL20211855 0.79 MAOB (0.55)
SCHEMBL29772190 0.79 MAOB (0.55)
SCHEMBL1495844 0.78 STS (0.38) STSPKMTSHRALOX15HSD17B10
SCHEMBL1495872 0.78 STS (0.38) STSPKMTSHRALOX15HSD17B10
SCHEMBL15827390 0.78 KDM4E (0.39) STSPKMTSHRALOX15HSD17B10
SCHEMBL4889617 0.78 METAP1 (0.41) ALOX15HSD17B10ALDH1A1DRD2DRD1
SCHEMBL1506557 0.77 DRD1 (0.62) ALDH1A1DRD2DRD1DRD4DRD5

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-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 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 (2 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 STS 4864/4885PKM 2213/4885TSHR 351/4885
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR3, GPR39 STS 3884/4885PKM 3382/4885TSHR 510/4885

“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.