SCHEMBL9946002

SCHEMBL9946002

CB(C)c1cc(C(C)C)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
PTGS1 P23219 2/20 0.52
TRPA1 O75762 1/20 0.52
CACNA1C Q13936 1/20 0.52
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TYR P14679 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
ALOX12 P18054 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 5/20 0.36
BCHE P06276 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PTGS2 P35354 1/20 0.35
RNASEH1 O60930 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL24478330 0.83 PTGS1 (0.57) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL31051327 0.74 LMNA (0.90) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL598134 0.74 LMNA (0.65) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL824128 0.73 LMNA (0.58) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL1753767 0.72 TDP1 (0.44) LMNATRPA1SMN1; SMN2ALDH1A1GAA
Guaiazulen SCHEMBL29639620 0.70 LMNA (1.00) LMNAPTGS1TRPA1CACNA1CHTT
Guaiazulen SCHEMBL29259925 0.70 LMNA (1.00) LMNAPTGS1TRPA1CACNA1CHTT
Guaiazulen SCHEMBL26982 0.70 LMNA (1.00) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL598620 0.70 LMNA (0.60) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL30632575 0.70 LMNA (0.60) LMNAPTGS1TRPA1CACNA1CHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (1 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 LMNA 3453/4885PTGS1 614/4885TRPA1 971/4885

“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.