SCHEMBL22166376

SCHEMBL22166376

CCc1ccc2oc(-c3ccccc3)cc(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.68
PLA2G4A P47712 3/20 0.68
HPGD P15428 4/20 0.67
MAPT P10636 3/20 0.67
TP53 P04637 3/20 0.67
CYP3A4 P08684 3/20 0.67
KDM4E B2RXH2 3/20 0.67
HSD17B10 Q99714 3/20 0.67
ALDH1A1 P00352 2/20 0.67
TNKS O95271 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
GABRP O00591 2/20 0.62
GABRD O14764 2/20 0.62
GABRA1 P14867 2/20 0.62
GABRB1 P18505 2/20 0.62
GABRG2 P18507 2/20 0.62
GABRB3 P28472 2/20 0.62
GABRA5 P31644 2/20 0.62

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
SCHEMBL10454554 0.91 CSNK2A2 (0.67) PLA2G2APLA2G4AHPGDMAPTTP53
SCHEMBL27488775 0.85 PLA2G2A (0.68) PLA2G2APLA2G4AHPGDMAPTTP53
SCHEMBL15931417 0.85 PLA2G2A (0.68) PLA2G2APLA2G4AHPGDMAPTTP53
SCHEMBL20074668 0.85 PLA2G2A (0.62) PLA2G2APLA2G4AHPGDMAPTTP53
SCHEMBL28050773 0.84 PLA2G2A (0.73) PLA2G2APLA2G4AHPGDMAPTTP53
SCHEMBL12386457 0.83 CSNK2A2 (0.58) PLA2G2APLA2G4AHPGDMAPTTP53
SCHEMBL11638800 0.83 PLA2G2A (0.64) PLA2G2APLA2G4AHPGDMAPTTP53
SCHEMBL21634007 0.81 PLA2G2A (0.58) PLA2G2APLA2G4AHPGDMAPTTP53
SCHEMBL11635046 0.81 FFAR1 (0.70) PLA2G2APLA2G4AHPGDMAPTTP53
6-Methylflavone SCHEMBL4648879 0.80 TP53 (1.00) PLA2G2APLA2G4AHPGDMAPTTP53

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-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-30 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-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates PAH, AHR, DDC PLA2G2A 3344/4885PLA2G4A 3674/4885HPGD 213/4885

“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.