SCHEMBL13499043

SCHEMBL13499043

CC(C)CCc1ccc(C(C)C)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.37
TYR P14679 2/20 0.36
LMNA P02545 1/20 0.34
GCGR P47871 1/20 0.33
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
HTR1B P28222 1/20 0.33
DAO P14920 2/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SHBG P04278 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL765949 0.85 HTR1D (0.37) HTR1DTYRLMNAGCGRTRPA1
SCHEMBL16619799 0.83 HTR1D (0.53) HTR1DLMNAALDH1A1GAAALOX12
SCHEMBL21507782 0.83 HTR1D (0.38) HTR1DLMNATRPA1PTGS1CACNA1C
SCHEMBL434483 0.81 IDO1 (0.46) TYRGCGRDAOSLC6A2SLC6A4
SCHEMBL13499041 0.81 GABRA1 (0.36) HTR1DLMNATRPA1PTGS1CACNA1C
SCHEMBL18015839 0.80 TYR (0.44) HTR1DTYRGCGRHTTSHBG
SCHEMBL13499935 0.79 TAAR1 (0.37) TYRALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL18014688 0.79 HTR1D (0.36) HTR1DLMNATRPA1PTGS1CACNA1C
SCHEMBL11951576 0.79 LMNA (0.38) HTR1DTYRLMNATRPA1PTGS1
SCHEMBL17129302 0.79 LMNA (0.38) HTR1DTYRLMNATRPA1PTGS1

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-7659294-B2 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as S1P receptor agonists MERCK & CO., INC. (US) 2010-02-09 US disclosed
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 HTR1D 4755/4885TYR 855/4885LMNA 3813/4885
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists S1PR1, S1PR3, S1PR5 HTR1D 505/4885TYR 4590/4885LMNA 4242/4885

“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.