SCHEMBL277067

SCHEMBL277067

CCC(C)(CC)NC(C)(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.32
PDE4A P27815 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
SCHEMBL18612961 0.85 TSHR (0.38) TSHRTDP1
SCHEMBL11461590 0.82 TSHR (0.35) TSHRTDP1
SCHEMBL5932950 0.79 TSHR (0.33) TSHRTDP1ALDH1A1
SCHEMBL5933574 0.75 MMP8 (0.31) TSHRTDP1
SCHEMBL277164 0.75 TSHR (0.32) TSHRTDP1
SCHEMBL19352958 0.75 TSHR (0.30) TSHRTDP1
SCHEMBL1678167 0.72
SCHEMBL19020934 0.72
SCHEMBL9599637 0.71
SCHEMBL1678713 0.69

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 188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240173345-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING SUBSTITUTED NUCLEOTIDE AND NUCLEOSIDE FOR TREATING VIRAL INFECTIONS EMORY UNIVERSITY 2024-05-30 US disclosed
US-11935311-B2 Methods and systems for computational decoding of biological, chemical, and physical entities NAUTILUS SUBSIDIARY, INC. (US) 2024-03-19 US disclosed
EP-4333859-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS, COMBINATIONS AND USES RELATED THERETO Emory University (US) 2024-03-13 EP disclosed
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2024-01-02 US disclosed
US-20230348326-A1 CONSTRUCTION MATERIALS, COMPOSITIONS AND METHODS OF MAKING SAME S&E INNOVATIVE TECHNOLOGIES LLC. (US) 2023-11-02 US disclosed
US-20230340014-A1 METHODS OF GENERATING NANOARRAYS AND MICROARRAYS NAUTILUS SUBSIDIARY, INC. 2023-10-26 US disclosed
EP-4231174-A2 METHODS AND SYSTEMS FOR COMPUTATIONAL DECODING OF BIOLOGICAL, CHEMICAL, AND PHYSICAL ENTITIES Nautilus Subsidiary, Inc. (US) 2023-08-23 EP disclosed
US-20230257416-A1 METHODS OF GENERATING NANOARRAYS AND MICROARRAYS NAUTILUS SUBSIDIARY, INC. 2023-08-17 US disclosed
US-20230221243-A1 METHODS AND SYSTEMS FOR INTEGRATED ON-CHIP SINGLE-MOLECULE DETECTION NAUTILUS SUBSIDIARY, INC. 2023-07-13 US disclosed
US-20230213438-A1 METHODS AND SYSTEMS FOR INTEGRATED ON-CHIP SINGLE-MOLECULE DETECTION NAUTILUS SUBSIDIARY, INC. 2023-07-06 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
EP-0934325-A1 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES Pharmasset, Ltd. (US) 1999-08-11 EP disclosed
WO-1998046673-A1 A POLYMERIC COMPOSITE MATERIAL WITH IMPROVED FLAME RESISTANCE DUSLO, A.S. S^¿ALA (SK) 1998-10-22 WO disclosed
WO-1998015563-A1 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES PHARMASSET, LTD. (US) 1998-04-16 WO disclosed
EP-0426196-B1 Surface modified fillers LONZA AG (CH) 1994-02-23 EP disclosed
WO-1993023031-A9 MULTIVALENT MIMETICS AND PEPTIDE MIMETICS FOR BLOCKING CARBOHYDRATE-DEPENDENT CELLULAR INTERACTION AND FOR ELICITING ANTICARBOHYDRATE T-CELL RESPONSE 1994-01-20 WO disclosed
WO-1993023031-A1 MULTIVALENT MIMETICS AND PEPTIDE MIMETICS FOR BLOCKING CARBOHYDRATE-DEPENDENT CELLULAR INTERACTION AND FOR ELICITING ANTICARBOHYDRATE T-CELL RESPONSE THE BIOMEMBRANE INSTITUTE (US) 1993-11-25 WO disclosed
US-5149880-A Conversion of methylenic carbons to carbonyls THE TEXAS A & M UNIVERSITY SYSTEM (US) 1992-09-22 US disclosed
WO-1991010634-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC LIGAND-METAL COMPLEXES AND THEIR USE FOR THE ACTIVATION OF HYDROGEN PEROXIDE AND DIOXYGEN IN THE REACTION OF ORGANIC COMPOUNDS TEXAS A&M UNIVERSITY SYSTEM (US) 1991-07-25 WO disclosed
EP-0426196-A1 Surface modified fillers LONZA AG (CH) 1991-05-08 EP 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-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections SLC28A1, PNP, SLC28A2 TSHR 3619/4885TDP1 978/4885ALDH1A1 1819/4885
US-20240173345-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING SUBSTITUTED NUCLEOTIDE AND NUCLEOSIDE FOR TREATING VIRAL INFECTIONS PNP, NTPCR, TYMP TSHR 3703/4885TDP1 259/4885ALDH1A1 1853/4885

“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.