SCHEMBL3548248

SCHEMBL3548248

CC1(C)COc2ccc(CBr)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
RARA P10276 2/20 0.41
RXRA P19793 1/20 0.38
BACE1 P56817 6/20 0.35
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL10158656 0.84 NOTUM (0.47) NOTUMPTGS1PTGS2RARBRARG
SCHEMBL2243072 0.83 CYP26A1 (0.48) RARBRARGRARARXRACYP26A1
SCHEMBL506223 0.83 NOTUM (0.46) NOTUMPTGS1PTGS2RARBRARG
SCHEMBL13318332 0.83 NOTUM (0.46) NOTUMPTGS1PTGS2RARBRARG
SCHEMBL3550976 0.83 RARB (0.47) NOTUMPTGS1PTGS2RARBRARG
SCHEMBL18656430 0.80 NOTUM (0.43) NOTUMPTGS1PTGS2RARBRARG
SCHEMBL5658006 0.80 BACE1 (0.45) NOTUMPTGS1PTGS2RARBRARG
SCHEMBL5782492 0.80 RARB (0.45) NOTUMPTGS1PTGS2RARBRARG
SCHEMBL13547946 0.80 PTGS2 (0.44) NOTUMPTGS1PTGS2RARBRARG
SCHEMBL5780794 0.80 PTGS2 (0.44) NOTUMPTGS1PTGS2RARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 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 (2 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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 NOTUM 637/4885PTGS1 1026/4885PTGS2 777/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC NOTUM 1197/4885PTGS1 1289/4885PTGS2 1288/4885

“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.