SCHEMBL21034046

SCHEMBL21034046

O=c1[nH]c(-c2ccccc2-c2ccccc2)no1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.51
FTO Q9C0B1 1/20 0.43
GPR55 Q9Y2T6 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
SCHEMBL2773609 0.87 LTB4R2 (0.50) LTB4R2FTOALDH1A1
SCHEMBL3743779 0.85 ALDH1A1 (0.56) ALDH1A1
SCHEMBL12348453 0.83 LTB4R2 (0.58) LTB4R2
SCHEMBL7435938 0.83 LTB4R2 (0.53) LTB4R2
SCHEMBL4443620 0.81 ALDH1A1 (0.57) ALDH1A1
SCHEMBL2645837 0.80 ALDH1A1 (0.44) LTB4R2FTOALDH1A1
SCHEMBL12475941 0.80 LTB4R2 (0.53) LTB4R2
SCHEMBL21634961 0.79 ALDH1A1 (0.42) LTB4R2FTOALDH1A1
SCHEMBL2645840 0.79 KDM4E (0.47) LTB4R2FTOALDH1A1
SCHEMBL31546406 0.79 FTO (0.49) FTOGPR55ALDH1A1

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-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water CHICAGO DISCOVERY SOLUTIONS, LLC 2019-05-28 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-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water RUVBL2, RUVBL1, CYP2W1 LTB4R2 3351/4885FTO 689/4885GPR55 1205/4885

“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.