SCHEMBL20375102

SCHEMBL20375102

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4cc6ccccc6cc45)c4cc(-c5ccc6c(-c7ccc(-c8cccc9ccccc89)cc7)c7cc(-c8ccc9c(-c%10ccc%11c(c%10)sc%10cc%12ccccc%12cc%10%11)c%10ccccc%10c(-c%10cccc(-c%11cccc%12ccccc%11%12)c%10)c9c8)ccc7c(-c7ccc8c(c7)sc7cc9ccccc9cc78)c6c5)ccc34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
MCL1 Q07820 3/20 0.36
ACMSD Q8TDX5 1/20 0.36
F9 P00740 1/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
PPARG P37231 7/20 0.34
PPARA Q07869 7/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARD Q03181 1/20 0.34
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL17247130 0.94 CA12 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL17247126 0.93 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL17247103 0.92 MCL1 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL17247104 0.91 CA12 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL17247090 0.89 CA12 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL17247125 0.89 ESR1 (0.42) MCL1F9ESR1ESR2CYP2C9
SCHEMBL24178549 0.88 MCL1 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL23428372 0.88 F9 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL19103126 0.88 MCL1 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL23427364 0.88 F9 (0.43) CA12CA1CA2CA9MCL1

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-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-07-12 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-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM CA12 1141/4885CA1 675/4885CA2 693/4885

“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.