SCHEMBL13020657

SCHEMBL13020657

CCCCc1cccc2c1OC(CC)CC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALPG P10696 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NFKB1 P19838 6/20 0.36
NFKB2 Q00653 6/20 0.36
RELA Q04206 6/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13886350 0.96 CYP1A2 (0.39) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL18505012 0.89 L3MBTL1 (0.39) L3MBTL1NFKB1NFKB2RELATDP1
SCHEMBL12377772 0.89 L3MBTL1 (0.39) L3MBTL1NFKB1NFKB2RELATDP1
SCHEMBL74057 0.89 L3MBTL1 (0.39) L3MBTL1NFKB1NFKB2RELATDP1
SCHEMBL13742957 0.85 CYP1A2 (0.46) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL14271046 0.79 L3MBTL1 (0.51) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL12634455 0.77 PRKCG (0.43) DRD2HPGD
SCHEMBL16650717 0.76 CYP1A2 (0.43) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL9882973 0.75 SSTR2 (0.35) L3MBTL1NFKB1NFKB2RELATDP1
SCHEMBL14046825 0.75 SSTR2 (0.35) L3MBTL1NFKB1NFKB2RELATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42013-E1 Macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2010-12-28 US disclosed
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor TRANZYME PHARMA INC. 2009-08-06 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 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-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR CYP1A2 2064/4885CYP2D6 2748/4885ALPG 3695/4885

“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.