SCHEMBL18930263

SCHEMBL18930263

CCC(C)Nc1ccc(C(C)C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.41
TRPA1 O75762 1/20 0.40
PTGS1 P23219 1/20 0.40
CACNA1C Q13936 1/20 0.40
HCAR3 P49019 1/20 0.39
ACHE P22303 6/20 0.38
BCHE P06276 4/20 0.38

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
SCHEMBL9973798 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL5074351 0.80 CYP3A4 (0.61) SMN1; SMN2ALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL1251762 0.79 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL19417920 0.79 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL18930268 0.78 LMNA (0.44) SMN1; SMN2ALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL1133304 0.76 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL24218222 0.75 LMNA (0.41) SMN1; SMN2ALDH1A1L3MBTL1TDP1LMNA
SCHEMBL21023213 0.75 LMNA (0.48) SMN1; SMN2ALDH1A1L3MBTL1TDP1HIF1A
SCHEMBL14930874 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL25590041 0.72 LMNA (0.45) SMN1; SMN2ALDH1A1L3MBTL1TDP1HIF1A

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-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 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-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885ALDH1A1 2858/4885L3MBTL1 2364/4885

“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.