SCHEMBL3608890

SCHEMBL3608890

CCCCCN1CCc2ccccc2C1C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
OPRK1 P41145 4/20 0.44
SOAT2 O75908 1/20 0.43
ACAT1 P24752 1/20 0.43
SOAT1 P35610 1/20 0.43
PPARD Q03181 3/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC3 O15379 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
NR1I2 O75469 1/20 0.35
F11 P03951 1/20 0.35

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
Hydrochloric Acid SCHEMBL3606029 0.99 OPRM1 (0.44) OPRM1OPRK1SOAT2ACAT1SOAT1
SCHEMBL3609202 0.87 PPARD (0.42) OPRM1OPRK1PPARDPPARGPPARA
SCHEMBL3611181 0.85 PPARD (0.44) OPRM1OPRK1SOAT2ACAT1SOAT1
SCHEMBL3617469 0.84 ACE (0.43) SOAT2ACAT1SOAT1PPARDPPARG
Hydrochloric Acid SCHEMBL3602370 0.84 PPARD (0.43) OPRM1OPRK1SOAT2ACAT1SOAT1
SCHEMBL3598872 0.80 HSP90AA1 (0.41) OPRM1OPRK1SOAT2ACAT1SOAT1
SCHEMBL3612962 0.80 HTR1A (0.39) SOAT2ACAT1SOAT1PPARDPPARG
Hydrochloric Acid SCHEMBL3601036 0.79 PPARD (0.51) PPARDPPARGPPARAHDAC1HDAC2
SCHEMBL3612877 0.79 OPRM1 (0.42) OPRM1OPRK1PPARDPPARGPPARA
SCHEMBL3601495 0.78 XIAP (0.45) F11

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-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 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-20100016307-A1 NOVEL COMPOUNDS MET, HGF, HGFAC OPRM1 209/4885OPRK1 600/4885SOAT2 2390/4885

“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.