SCHEMBL10120022

SCHEMBL10120022

COCCC1c2ccc(C(C)C)cc2-c2ccc(C(C)C)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
CASR P41180 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3825308 0.79 LMNA (0.41) LMNAL3MBTL1TRPA1PTGS1CACNA1C
SCHEMBL10147112 0.78 PPIA (0.33) LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL19543369 0.71 LMNA (0.40) LMNATRPA1PTGS1CACNA1CBCHE
SCHEMBL22425679 0.66 LMNA (0.39) LMNATRPA1PTGS1CACNA1CBCHE
SCHEMBL17707913 0.65 DYRK1A (0.50) LMNATRPA1PTGS1CACNA1CHDAC4
SCHEMBL4456649 0.63 LMNA (0.50) LMNATRPA1PTGS1CACNA1CBCHE
SCHEMBL6939847 0.62 HTR2A (0.42) LMNASMN1; SMN2KDM4ETSHR
SCHEMBL8715984 0.62 HTR2A (0.42) LMNASMN1; SMN2KDM4ETSHR
Hydrochloric Acid SCHEMBL4633578 0.61 HTR2A (0.38)
SCHEMBL4586061 0.60 HTR7 (0.43) LMNATRPA1PTGS1CACNA1CHTT

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-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 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-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 LMNA 821/4885L3MBTL1 169/4885TRPA1 4467/4885

“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.