SCHEMBL18407235

SCHEMBL18407235

COc1cc(CC(C)(C)C)c(CC(C)(C)C)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ HMGCR P04035 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ RIPK1 Q13546 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 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
SCHEMBL14651497 0.88 HMGCR (0.39) HTR2ACYP3A4HMGCRPDE4APDE4B
SCHEMBL13551182 0.87 TAAR1 (0.44) HTR2ACYP3A4HMGCRPDE4APDE4B
SCHEMBL19222730 0.83 ALOX5 (0.40) HTR2AHMGCRPDE4DCYP19A1TAAR1
SCHEMBL25083003 0.78 ALDH1A1 (0.54) CYP3A4MAPTGAAHTTKDM4E
SCHEMBL22545940 0.78 HTR2A (0.67) HTR2ATAAR1
SCHEMBL13547900 0.76 HTR2A (0.44) HTR2AMAPTGAATSHRMAPK1
SCHEMBL12776117 0.75 TAAR1 (0.41) HTR2AMAPTTAAR1MTNR1AMTNR1B
SCHEMBL12776116 0.75 TAAR1 (0.49) HTR2AMAPTGAATSHRTAAR1
SCHEMBL74595 0.75 RIPK1 (0.63) RIPK1MAPTGAACA2TAAR1
SCHEMBL22952866 0.74 TAAR1 (0.49) HTR2AMAPTGAATSHRMAPK1

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-20170022191-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-01-26 — — 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-20170022191-A1 BENZAMIDES FSHR, GNRHR, LHCGR HTR2A 269/4885CYP3A4 1637/4885HMGCR 4314/4885

“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.

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