SCHEMBL22432005

SCHEMBL22432005

c1cc(-c2ccc3oc4ccc(-c5cccc6c(-c7c8ccccc8c(-c8ccc(-c9ccc%10oc%11ccccc%11c%10c9)cc8)c8ccccc78)cccc56)cc4c3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PLA2G2A P14555 3/20 0.40
PLA2G4A P47712 3/20 0.40
PLA2G10 O15496 1/20 0.40
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MCL1 Q07820 1/20 0.36

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
SCHEMBL125741 0.97 CA12 (0.42) CA12CA1CA2CA9PLA2G2A
SCHEMBL13991445 0.97 CA12 (0.42) CA12CA1CA2CA9PLA2G2A
SCHEMBL12577462 0.95 PLA2G2A (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL26949555 0.95 PLA2G2A (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL12577940 0.95 PLA2G2A (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL22916731 0.95 PLA2G2A (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL126223 0.95 PLA2G2A (0.43) CA12CA1CA2CA9PLA2G2A
SCHEMBL126279 0.95 PLA2G2A (0.43) CA12CA1CA2CA9PLA2G2A
SCHEMBL25493546 0.94 PLA2G2A (0.41) CA12CA1CA2CA9PLA2G2A
SCHEMBL15195363 0.94 PLA2G2A (0.41) CA12CA1CA2CA9PLA2G2A

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-20200290985-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-09-17 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-20200290985-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE PIEZO1, RER1, OR10J3 CA12 3146/4885CA1 3514/4885CA2 4197/4885

“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.