SCHEMBL13624072

SCHEMBL13624072

COCCOc1cc(OC)ccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KDM1A O60341 1/20 0.39
LPAR1 Q92633 1/20 0.39
APLNR P35414 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A1 P04798 1/20 0.37

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
SCHEMBL14850360 0.87 AHR (0.43) HTTL3MBTL1CA1CA2CA12
SCHEMBL13624065 0.87 MAPK1 (0.41) HTTL3MBTL1CA1CA2CA12
SCHEMBL14850072 0.84 KIF11 (0.44) HTTL3MBTL1CA1CA2CA12
SCHEMBL4644874 0.83 HTT (0.39) HTTL3MBTL1KDM4EALDH1A1MAPK1
SCHEMBL22140241 0.83 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL4644879 0.82 KDM4E (0.40) HTTL3MBTL1KDM4EALDH1A1MAPK1
SCHEMBL20741377 0.81 MAPK1 (0.45) HTTL3MBTL1CA1CA2CA9
SCHEMBL4641630 0.81 SMN1; SMN2 (0.50) L3MBTL1LMNA
SCHEMBL4640606 0.80 ALDH1A1 (0.43) HTTL3MBTL1KDM4EALDH1A1CYP3A4
SCHEMBL9978253 0.80 LMNA (0.47) HTTL3MBTL1KDM4EALDH1A1CYP3A4

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF HTT 1913/4885L3MBTL1 3079/4885CA1 52/4885

“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.