SCHEMBL18014688

SCHEMBL18014688

CC(C)c1ccc(CCC(C)(C)C)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
RIPK1 Q13546 1/20 0.33
LMNA P02545 1/20 0.32
KIF11 P52732 1/20 0.32
DPP4 P27487 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
HTR1B P28222 1/20 0.31
DAO P14920 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 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
SCHEMBL18701044 0.82 LMNA (0.34) HTR1DTRPV1LMNAKIF11DPP4
SCHEMBL17129133 0.82 HTR1D (0.31) HTR1DTRPV1TRPA1PTGS1CACNA1C
SCHEMBL16619799 0.80 HTR1D (0.53) HTR1DLMNADPP4ALDH1A1GAA
SCHEMBL21507782 0.80 HTR1D (0.38) HTR1DLMNATRPA1PTGS1CACNA1C
SCHEMBL13499043 0.79 HTR1D (0.37) HTR1DLMNADPP4TRPA1PTGS1
SCHEMBL6742833 0.78 IDO1 (0.46) RIPK1DAO
SCHEMBL18015839 0.77 TYR (0.44) HTR1DTRPV1HTT
SCHEMBL19194026 0.76 FFAR1 (0.36) HTR1DTRPV1TRPA1PTGS1CACNA1C
SCHEMBL11951592 0.76 TRPA1 (0.35) HTR1DTRPV1LMNADPP4TRPA1
SCHEMBL11951576 0.76 LMNA (0.38) HTR1DLMNATRPA1PTGS1CACNA1C

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-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
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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 4755/4885TRPV1 848/4885RIPK1 2036/4885
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 HTR1D 1062/4885TRPV1 2812/4885RIPK1 2370/4885

“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.