SCHEMBL874441

SCHEMBL874441

C1=Cc2ccc3ccc4sccc4c3c2OC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2B6 P20813 1/20 0.30

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
SCHEMBL11792905 0.86 CYP1A1 (0.34) CYP1A1CYP1A2CYP2B6
SCHEMBL29609923 0.86 CYP1A1 (0.34) CYP1A1CYP1A2CYP2B6
SCHEMBL3703014 0.75 CYP1A2 (0.45) CYP1A1CYP1A2CYP2B6
SCHEMBL9105068 0.73 CYP1A1 (0.34) CYP1A1CYP1A2CYP2B6
SCHEMBL29609339 0.73 CYP1A1 (0.34) CYP1A1CYP1A2CYP2B6
SCHEMBL11324753 0.72 CYP1A2 (0.42) CYP1A1CYP1A2CYP2B6
SCHEMBL9101264 0.68 CYP1A2 (0.43) CYP1A1CYP1A2CYP2B6
SCHEMBL1043402 0.66 CYP2B6 (0.43) CYP1A1CYP1A2CYP2B6
SCHEMBL29365059 0.66 CYP2B6 (0.43) CYP1A1CYP1A2CYP2B6
SCHEMBL29372595 0.66 CYP2B6 (0.43) CYP1A1CYP1A2CYP2B6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 WO 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 CYP1A1 3366/4885CYP1A2 3484/4885CYP2B6 3905/4885

“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.