SCHEMBL14036619

SCHEMBL14036619

Cc1ccc(C(C)C)cc1CN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
PTGS1 P23219 2/20 0.50
TRPA1 O75762 1/20 0.50
CACNA1C Q13936 1/20 0.50
HTR1D P28221 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 1/20 0.39
ACHE P22303 6/20 0.38
BCHE P06276 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 2/20 0.35
PLG P00747 2/20 0.35
KLK1 P06870 2/20 0.35
KLK6 Q92876 2/20 0.35
PTGS2 P35354 1/20 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
SCHEMBL18181434 0.84 TAAR1 (0.60) LMNAPTGS1TRPA1CACNA1CHTR1D
SCHEMBL17119507 0.83 LMNA (0.47) LMNAPTGS1TRPA1CACNA1CHTR1D
SCHEMBL11449732 0.81 LMNA (0.54) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL13452414 0.80 TAAR1 (0.34) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL14227856 0.79 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL12535558 0.79 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL26137536 0.79 HTR1D (0.40) LMNAPTGS1TRPA1CACNA1CHTR1D
SCHEMBL1762784 0.79 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CHTT
SCHEMBL20835018 0.79 ALDH1A1 (0.48) LMNAPTGS1TRPA1CACNA1CHTR1D
SCHEMBL9685093 0.79 PTGS1 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles VANDERBILT UNIVERSITY (US) 2023-07-11 US disclosed
US-20150265584-A1 LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-09-24 US disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO 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-20150265584-A1 LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA H1-2, H1-4, H1-3 LMNA 174/4885PTGS1 9/4885TRPA1 1983/4885
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles OGG1, LGMN, GLO1 LMNA 51/4885PTGS1 157/4885TRPA1 1725/4885

“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.