SCHEMBL6494848

SCHEMBL6494848

CC(C)c1ccc(-c2[c]ccc(C(C)C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
NOTUM Q6P988 2/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TP53 P04637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TYR P14679 3/20 0.33

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
SCHEMBL9599913 0.91 THRB (0.36) NOTUMALDH1A1RAB9ANPSR1KDM4E
SCHEMBL564584 0.89 LMNA (0.34) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL1369636 0.86 RXRA (0.38) LMNATNKSPARP1TNKS2HDAC6
SCHEMBL15067062 0.85 LMNA (0.38) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL5868259 0.84 TSHR (0.34) NOTUMALDH1A1NPC1RAB9ATP53
SCHEMBL4951261 0.84 KIF11 (0.35) LMNAALDH1A1HTTNPC1RAB9A
SCHEMBL8095649 0.83 MAPT (0.34) NOTUMTNKSPARP1TNKS2HDAC6
SCHEMBL5887096 0.81 LMNA (0.34) LMNATRPA1PTGS1CACNA1CHPGD
SCHEMBL2724725 0.81 NPC1 (0.35) NPC1RAB9ANISCHMAPT
SCHEMBL9753779 0.81 RXRA (0.44) ALDH1A1HTTALOX12TP53TYR

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-20050288258-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases DIANA GUY D 2005-12-29 US disclosed
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 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-20050288258-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases MAVS, HAVCR2, ZC3HAV1 LMNA 1196/4885TRPA1 3808/4885PTGS1 849/4885

“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.