SCHEMBL13820745

SCHEMBL13820745

CC(C)c1ccc2c(c1)OC(c1ccccn1)CC2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.42
ABCB11 O95342 3/20 0.39
OGA O60502 3/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 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
SCHEMBL12556044 0.83 ESR1 (0.40) FFAR1ABCB11ESR1ESR2
SCHEMBL1933116 0.81 ESR1 (0.40) FFAR1ESR1ESR2
SCHEMBL6296267 0.81 ESR2 (0.59) ESR1ESR2
SCHEMBL13820456 0.80 FFAR1 (0.54) FFAR1ESR1ESR2
SCHEMBL6292853 0.80 HTR1A (0.45)
SCHEMBL13720329 0.75 LPL (0.35) FFAR1ESR1ESR2
SCHEMBL16857321 0.75 SNRNP200 (0.37) ESR1ESR2
SCHEMBL6291943 0.73 ESR1 (0.59) ESR1ESR2
SCHEMBL11039123 0.73 ESR1 (0.43) ESR1ESR2
SCHEMBL10263203 0.72 OGA (0.37) FFAR1OGAESR1ESR2

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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI FFAR1 3100/4885ABCB11 611/4885OGA 2757/4885

“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.