SCHEMBL26773296

SCHEMBL26773296

O=c1[nH]c2cc3oc(=O)c4cc(O)ccc4c3cc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.62
▸ PKLR P30613 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ CDK5 Q00535 6/20 0.50
▸ CDK5R1 Q15078 5/20 0.50
▸ DYRK1A Q13627 4/20 0.50
▸ GSK3A P49840 2/20 0.50
▸ GSK3B P49841 2/20 0.50
▸ TOP1 P11387 1/20 0.50
▸ MAPT P10636 2/20 0.48
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 3/20 0.46
▸ HSD17B3 P37058 1/20 0.45
▸ CSNK2A1 P68400 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MGAM O43451 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL26773449 0.82 F2 (0.54) NPSR1RXFP1MAPTKDM4EALDH1A1
SCHEMBL26773453 0.78 PDE2A (0.59) PDE2APKLRNPSR1RXFP1CDK5
SCHEMBL29368885 0.78 PDE2A (1.00) PDE2APKLRNPSR1RXFP1MAPT
SCHEMBL803408 0.78 PDE2A (1.00) PDE2APKLRNPSR1RXFP1MAPT
SCHEMBL29401099 0.78 PDE2A (1.00) PDE2APKLRNPSR1RXFP1MAPT
SCHEMBL26773292 0.77 PDE2A (0.57) PDE2APKLRNPSR1RXFP1CDK5
SCHEMBL1668291 0.75 F2 (0.56) PDE2ACDK5CDK5R1DYRK1AGSK3A
SCHEMBL30863879 0.74 NOS1 (0.61) NPSR1CDK5CDK5R1DYRK1AGSK3A
SCHEMBL241569 0.74 NOS1 (0.61) NPSR1CDK5CDK5R1DYRK1AGSK3A
SCHEMBL30282769 0.74 NOS1 (0.61) NPSR1CDK5CDK5R1DYRK1AESR1

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-11820751-B2 Urolithin derivatives and methods of use thereof VANDRIA SA (CH) 2023-11-21 — — 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-11820751-B2 Urolithin derivatives and methods of use thereof NLN, UQCRC2, TUFM PDE2A 1089/4885PKLR 1783/4885NPSR1 3213/4885

“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.

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