SCHEMBL11981097

SCHEMBL11981097

CCC1(CC)O[C@@H]2OC(C)(C)O[C@H]2C1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GSTP1 P09211 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ CTSV O60911 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSS P25774 1/20 0.30

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
SCHEMBL10158787 1.00 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGSTP1IDO1
SCHEMBL18561544 1.00 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGSTP1IDO1
SCHEMBL25967805 0.92 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGSTP1IDO1
SCHEMBL11981103 0.92 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGSTP1IDO1
SCHEMBL10158905 0.92 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGSTP1IDO1
SCHEMBL10158790 0.92 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGSTP1IDO1
SCHEMBL11981121 0.92 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AGSTP1IDO1
SCHEMBL20756272 0.91 TSHR (0.33) ALDH1A1MEN1KMT2AGSTP1IDO1
SCHEMBL11981124 0.90 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AGSTP1IDO1
SCHEMBL10159028 0.88 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AGSTP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX, INC. 2017-03-02 — — US disclosed
US-9428535-B2 Modified nucleosides, nucleotides, and nucleic acids, and uses thereof MODERNA THERAPEUTICS, INC. (US) 2016-08-30 — — US disclosed
US-20150337002-A1 NUCLEOSIDE AND NUCLEOTIDE HAVING SULFONAMIDE STRUCTURE SHIONOGI & CO., LTD. (JP) 2015-11-26 — — US disclosed
US-20150080457-A1 5' PHOSPHATE MIMICS BANK OF AMERICA, N.A. 2015-03-19 — — US disclosed
US-8541562-B2 Bridged artificial nucleoside and nucleotide OSAKA UNIVERSITY (JP) 2013-09-24 — — US disclosed
US-20130115272-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-05-09 — — US disclosed
US-20120208991-A1 BRIDGED ARTIFICIAL NUCLEOSIDE AND NUCLEOTIDE OSAKA UNIVERSITY (JP) 2012-08-16 — — 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 (4 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-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 ALDH1A1 2620/4885MEN1 2176/4885KMT2A 1675/4885
US-20150080457-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT ALDH1A1 3467/4885MEN1 3134/4885KMT2A 3113/4885
US-20120208991-A1 BRIDGED ARTIFICIAL NUCLEOSIDE AND NUCLEOTIDE NCL, NSUN2, NSUN3 ALDH1A1 3380/4885MEN1 4656/4885KMT2A 691/4885
US-20150337002-A1 NUCLEOSIDE AND NUCLEOTIDE HAVING SULFONAMIDE STRUCTURE NSUN2, NR2E3, NR0B2 ALDH1A1 4270/4885MEN1 2783/4885KMT2A 1062/4885

“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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