SCHEMBL16575320

SCHEMBL16575320

CC[C@@]1(C)O[C@@H]2OC(C)(C)O[C@H]2C1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ BCHE P06276 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GSTP1 P09211 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ CTSV O60911 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ CTSF Q9UBX1 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ SIGMAR1 Q99720 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PSEN1 P49768 1/20 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
SCHEMBL10158872 1.00 ALDH1A1 (0.36) ALDH1A1OPRM1OPRL1BCHEMEN1
SCHEMBL18671589 0.88 ALDH1A1 (0.38) ALDH1A1OPRM1OPRL1BCHEMEN1
SCHEMBL6839628 0.86 TSHR (0.36) ALDH1A1OPRM1OPRL1BCHEMEN1
SCHEMBL10158787 0.86 ALDH1A1 (0.36) ALDH1A1OPRM1OPRL1BCHEMEN1
SCHEMBL11981097 0.86 ALDH1A1 (0.36) ALDH1A1OPRM1OPRL1BCHEMEN1
SCHEMBL18561544 0.86 ALDH1A1 (0.36) ALDH1A1OPRM1OPRL1BCHEMEN1
SCHEMBL18503722 0.85 GSTP1 (0.35) ALDH1A1OPRM1OPRL1MEN1KMT2A
SCHEMBL16708499 0.85 SLC6A2 (0.42) GSTP1
SCHEMBL20959993 0.85 SLC6A2 (0.42) GSTP1
SCHEMBL22799571 0.84 ALDH1A1 (0.38) ALDH1A1OPRM1OPRL1BCHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340008-A1 BRIDGED NUCLEOSIDE AND NUCLEOTIDE USING SAME JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF NATIONAL INSTITUTE OF HEALTH SCIENCES (JP) 2023-10-26 — — US disclosed
US-9611479-B2 Crosslinked nucleoside and nucleotide OSAKA UNIVERSITY (JP) 2017-04-04 — — US disclosed
US-20170044528-A1 CROSSLINKED NUCLEOSIDE AND NUCLEOTIDE OSAKA UNIVERSITY (JP) 2017-02-16 — — US disclosed
US-20150080457-A1 5' PHOSPHATE MIMICS BANK OF AMERICA, N.A. 2015-03-19 — — 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 (3 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-20150080457-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT ALDH1A1 3467/4885OPRM1 4108/4885OPRL1 3797/4885
US-20230340008-A1 BRIDGED NUCLEOSIDE AND NUCLEOTIDE USING SAME SLC29A1, SLC29A2, PNP ALDH1A1 708/4885OPRM1 4031/4885OPRL1 3081/4885
US-20170044528-A1 CROSSLINKED NUCLEOSIDE AND NUCLEOTIDE NSUN2, NCL, NSUN3 ALDH1A1 2297/4885OPRM1 2188/4885OPRL1 732/4885

“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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