SCHEMBL13596188

SCHEMBL13596188

CCCc1ccc(Nc2ccc(OC)c(-c3ccccc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.54
ADRB1 P08588 3/20 0.54
ADRB3 P13945 2/20 0.51
GABRA1 P14867 3/20 0.43
GABRB2 P47870 3/20 0.43
FFAR1 O14842 1/20 0.43
C5AR1 P21730 3/20 0.43
SLC2A1 P11166 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HTR7 P34969 1/20 0.40
CASR P41180 1/20 0.39
PDE4D Q08499 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
SCHEMBL13076665 0.91 ADRB2 (0.52) ADRB2ADRB1ADRB3C5AR1SLC2A1
SCHEMBL13697664 0.88 ADRB2 (0.53) ADRB2ADRB1ADRB3C5AR1
SCHEMBL14027864 0.86 ADRB2 (0.56) ADRB2ADRB1ADRB3FFAR1C5AR1
SCHEMBL13072322 0.86 ADRB2 (0.54) ADRB2ADRB1ADRB3FFAR1C5AR1
SCHEMBL21992018 0.85 TP53 (0.49) ADRB2ADRB1ADRB3TP53MAPT
SCHEMBL21992419 0.84 STK10 (0.51) ADRB2ADRB1ADRB3TP53MAPT
SCHEMBL13708439 0.78 ADRB2 (0.51) ADRB2ADRB1ADRB3FFAR1MAPT
SCHEMBL9418464 0.77 FFAR1 (0.45) FFAR1SIGMAR1MAPT
SCHEMBL14680607 0.77 ALDH1A1 (0.47) ADRB2ADRB1FFAR1SIGMAR1MAPT
SCHEMBL5699638 0.77 AGPAT2 (0.52) ADRB2ADRB1ADRB3TP53MAPT

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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885ADRB3 3/4885

“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.