SCHEMBL21076158

SCHEMBL21076158

COc1ccc(CCC(C)C(C)S)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TAAR1 Q96RJ0 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.49
IDO1 P14902 1/20 0.48
SLC6A4 P31645 1/20 0.47
MMP1 P03956 1/20 0.46
MMP13 P45452 1/20 0.46
AOC3 Q16853 1/20 0.46
CALM1 P0DP23 1/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1670365 0.85 HTT (0.56) HTTSMN1; SMN2TAAR1L3MBTL1MAPT
SCHEMBL28851988 0.85 HTT (0.59) HTTSMN1; SMN2TAAR1L3MBTL1MAPT
SCHEMBL29657236 0.85 HTT (0.59) HTTSMN1; SMN2TAAR1L3MBTL1MAPT
SCHEMBL879606 0.80 HTT (0.62) HTTSMN1; SMN2TAAR1L3MBTL1MAPT
SCHEMBL6557459 0.77 HTT (0.59) HTTSMN1; SMN2TAAR1L3MBTL1MAPT
SCHEMBL2942342 0.77 HTT (0.59) HTTSMN1; SMN2TAAR1L3MBTL1MAPT
SCHEMBL8975067 0.77 SLC6A4 (0.66) HTTSMN1; SMN2TAAR1L3MBTL1MAPT
SCHEMBL265652 0.77 SLC6A4 (0.66) HTTSMN1; SMN2TAAR1L3MBTL1MAPT
SCHEMBL6555827 0.77 HTT (0.59) HTTSMN1; SMN2TAAR1L3MBTL1MAPT
SCHEMBL2238188 0.77 HTT (0.59) HTTSMN1; SMN2TAAR1L3MBTL1MAPT

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-20190167685-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS NORTHWESTERN UNIVERSITY 2019-06-06 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-20190167685-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS CACNA1C, CACNA1B, CACNA1G HTT 155/4885SMN1; SMN2 294/4885TAAR1 1963/4885

“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.