SCHEMBL5190796

SCHEMBL5190796

Cc1ccc(C(C)C)c2c(O)c(C(C(=O)O)c3c(O)c4c(C(C)C)ccc(C)c4oc3=O)c(=O)oc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 4/20 0.46
CNR2 P34972 3/20 0.41
ADORA3 P0DMS8 1/20 0.34
ABCB1 P08183 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
AKR1B1 P15121 1/20 0.33
NQO1 P15559 3/20 0.33
GPR18 Q14330 1/20 0.32
VKORC1 Q9BQB6 1/20 0.32

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
SCHEMBL14169832 0.90 GPR55 (0.46) GPR55CNR2ADORA3RARARARB
SCHEMBL5189359 0.75 NQO1 (0.44) ADORA3NQO1VKORC1
SCHEMBL14172298 0.69 GPR55 (0.41) GPR55CNR2ESR1ESR2NQO1
SCHEMBL5348298 0.69 GPR55 (0.49) GPR55CNR2
SCHEMBL14170148 0.69 CLK2 (0.50) ADORA3ESR1ESR2NQO1
SCHEMBL5344643 0.69 GPR55 (0.40) GPR55CNR2
SCHEMBL11694849 0.67 GPR55 (0.47) GPR55CNR2ESR1ESR2LDHA
SCHEMBL5119806 0.66 GPR55 (0.38) GPR55CNR2GPR18
SCHEMBL5191995 0.65 NQO1 (0.55) ADORA3NQO1VKORC1
SCHEMBL14169803 0.64 CYP2C9 (0.53) ADORA3NQO1VKORC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2008-06-26 US disclosed
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2008-06-26 US disclosed
EP-1846428-A1 ANTI-INFLAMMATORY CONJUGATES OF MACROLIDES AND COUMARINS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-10-24 EP disclosed
WO-2006092739-A1 ANTI-INFLAMMATORY CONJUGATES OF MACROLIDES AND COUMARINS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-09-08 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 (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-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity NOD1, NOD2, CASP1 GPR55 2338/4885CNR2 739/4885ADORA3 2675/4885

“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.