SCHEMBL21536764

SCHEMBL21536764

CCC(COC)C(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
AOC3 Q16853 3/20 0.46
ADRA2C P18825 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRA2A P08913 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRM2 P08172 1/20 0.40
ADRA1A P35348 1/20 0.40
RGS12 O14924 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7913345 0.84 LMNA (0.60) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL23980138 0.84 MAPT (0.45) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL18641828 0.84 MAPT (0.45) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL1692203 0.81 SLC6A2 (0.60) ADRA2CMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL1692389 0.81 SLC6A2 (0.60) ADRA2CMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL11077174 0.79 LMNA (0.54) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL8037032 0.77 LMNA (0.52) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL2736639 0.77 LMNA (0.50) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL7914382 0.77 AOC3 (0.58) LMNAAOC3ADRA2CKDM4EADRA2A
SCHEMBL23980139 0.77 LMNA (0.50) LMNAAOC3ADRA2CKDM4EADRA2A

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-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2019-10-31 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-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 LMNA 4148/4885AOC3 1356/4885ADRA2C 1190/4885

“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.