SCHEMBL21169741

SCHEMBL21169741

c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4oc5ccc(-c6ccc7cccc(-c8ccc(-c9c%10ccccc%10c(-c%10ccc%11oc%12ccccc%12c%11c%10)c%10ccccc9%10)cc8)c7c6)cc5c4c3)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
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL125716 0.96 CA12 (0.43) CA12CA1CA2CA9PLA2G2A
SCHEMBL26949555 0.95 PLA2G2A (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL27341541 0.95 ALOX5 (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL13991445 0.95 CA12 (0.42) CA12CA1CA2CA9PLA2G2A
SCHEMBL125741 0.95 CA12 (0.42) CA12CA1CA2CA9PLA2G2A
SCHEMBL126279 0.95 PLA2G2A (0.43) CA12CA1CA2CA9PLA2G2A
SCHEMBL26949565 0.94 PLA2G2A (0.41) CA12CA1CA2CA9PLA2G2A
SCHEMBL26949556 0.94 PLA2G2A (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL125866 0.94 PLA2G2A (0.40) CA12CA1CA2CA9PLA2G2A
SCHEMBL26949481 0.94 CA12 (0.39) 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-20190221747-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2019-07-18 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-20190221747-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND KCNN4, OR10J3, KCNN2 CA12 4459/4885CA1 3831/4885CA2 3660/4885

“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.