SCHEMBL23239553

SCHEMBL23239553

Clc1ccc(-c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.53
▸ CA1 P00915 4/20 0.53
▸ CA2 P00918 4/20 0.53
▸ CA9 Q16790 4/20 0.53
▸ CYP1A2 P05177 6/20 0.48
▸ SERPINE1 P05121 1/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ ACMSD Q8TDX5 1/20 0.46
▸ BMX P51813 1/20 0.45
▸ CYP1A1 P04798 3/20 0.43
▸ CYP1B1 Q16678 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PTGES O14684 1/20 0.41

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
SCHEMBL30103817 1.00 CA12 (0.53) CA12CA1CA2CA9CYP1A2
SCHEMBL18371372 1.00 CA12 (0.53) CA12CA1CA2CA9CYP1A2
SCHEMBL21206165 0.90 CYP1A2 (0.50) CA12CA1CA2CA9CYP1A2
SCHEMBL29597362 0.89 CA12 (0.56) CA12CA1CA2CA9CYP1A2
SCHEMBL21905500 0.89 CA12 (0.56) CA12CA1CA2CA9CYP1A2
SCHEMBL26563969 0.88 CA12 (0.51) CA12CA1CA2CA9CYP1A2
SCHEMBL23238902 0.87 SERPINE1 (0.48) CA12CA1CA2CA9CYP1A2
SCHEMBL24816033 0.87 CA12 (0.56) CA12CA1CA2CA9SERPINE1
SCHEMBL29892508 0.87 CA12 (0.56) CA12CA1CA2CA9SERPINE1
SCHEMBL7763036 0.87 CA12 (0.53) CA12CA1CA2CA9CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227397-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-20 — — US disclosed
US-20230227397-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-20 — — US disclosed
WO-2021070964-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-04-15 — — WO 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-20230227397-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, ELAVL1 CA12 2251/4885CA1 1838/4885CA2 3286/4885

“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.

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