SCHEMBL12425537

SCHEMBL12425537

c1ccc(-c2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c3ccccc3c3c2sc2ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ F9 P00740 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ PTPN1 P18031 3/20 0.34
▸ TNKS O95271 2/20 0.34
▸ TNKS2 Q9H2K2 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34

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
SCHEMBL12425547 0.95 ALOX5 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL12425659 0.91 ALOX5 (0.38) ALOX5CA12CA1CA2CA9
SCHEMBL19109269 0.85 ALOX5 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL12425520 0.84 L3MBTL1 (0.43) ALOX5L3MBTL1PTPN1TNKSTNKS2
SCHEMBL12425640 0.84 TNKS (0.44) ALOX5L3MBTL1MCL1PTPN1TNKS
SCHEMBL12425423 0.84 CA12 (0.36) CA12CA1CA2CA9L3MBTL1
SCHEMBL12425426 0.84 CA12 (0.36) CA12CA1CA2CA9L3MBTL1
SCHEMBL19109293 0.84 ALOX5 (0.38) ALOX5CA12CA1CA2CA9
SCHEMBL23427051 0.83 L3MBTL1 (0.39) CA12CA1CA2CA9L3MBTL1
SCHEMBL12425546 0.83 PTPN1 (0.42) ALOX5L3MBTL1F9PTPN1TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 — — US disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 — — US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 — — US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 — — 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-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME OR10J3, USE1, NOTUM ALOX5 607/4885CA12 3724/4885CA1 4266/4885

“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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