SCHEMBL18015828

SCHEMBL18015828

CCc1cccc(-c2ccc(OC)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.46
▸ PTGS2 P35354 4/20 0.46
▸ PTGS1 P23219 1/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ ERN1 O75460 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ HTR7 P34969 3/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ PDE10A Q9Y233 2/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL12603809 0.85 KMT2A (0.47) PTGS2PTGS1ERN1KMT2AMEN1
SCHEMBL9287916 0.85 BCL2 (0.50) BCL2PTGS2KMT2AMEN1ALDH1A1
SCHEMBL23345996 0.83 ACMSD (0.46) PTGS2PTGS1ADORA2AADORA1ERN1
SCHEMBL18014715 0.83 PTGS2 (0.41) PTGS2PTGS1ADORA2AADORA1ERN1
SCHEMBL23296176 0.81 GAA (0.52) ALDH1A1SMN1; SMN2
SCHEMBL1373688 0.81 KMT2A (0.57) PTGS2KMT2AMEN1ALDH1A1HTT
SCHEMBL13099461 0.81 CYP17A1 (0.52) BCL2PTGS2PTGS1ERN1KMT2A
SCHEMBL12326172 0.80 PTGS2 (0.53) PTGS2PTGS1ADORA2AADORA1KMT2A
SCHEMBL403698 0.79 ADORA2A (0.55) PTGS2PTGS1ADORA2AADORA1KMT2A
SCHEMBL29375895 0.79 ADORA2A (0.55) PTGS2PTGS1ADORA2AADORA1KMT2A

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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 — — 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 BCL2 1917/4885PTGS2 1534/4885PTGS1 1622/4885

“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.

Send feedback