SCHEMBL1102013

SCHEMBL1102013

CC1=C(C(C)(C)C)C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 10/20 0.52
CDC25A P30304 8/20 0.52
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
S100A4 P26447 7/20 0.48
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
PLA2G1B P04054 2/20 0.47
ATG4B Q9Y4P1 2/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46

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
SCHEMBL26598976 0.83 CDC25B (0.48) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL571026 0.78 CDC25B (0.68) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL29941466 0.78 CDC25B (0.68) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL22349000 0.77 S100A4 (0.44) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL8459324 0.77 APAF1 (0.60) CDC25BCDC25AS100A4RAB9AALDH1A1
SCHEMBL9627577 0.77 IDO1 (0.60) CDC25BCDC25AS100A4RAB9AALDH1A1
Water SCHEMBL8664586 0.76 CDC25B (0.65) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL31437681 0.75 CDC25B (0.46) CDC25BCDC25AS100A4RAB9AALDH1A1
SCHEMBL9629357 0.75 MAPT (0.65) CDC25BCDC25AS100A4RAB9AALDH1A1
SCHEMBL16178924 0.75 CDC25B (0.50) CDC25BCDC25AAURKAAURKBS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059441-A1 ANTIPOLYMERANT COMPOSITIONS WITH BENZOQUINONE OR NAPHTHOQUINONE AND OXYGENATED AMINOPHENOL AND METHODS OF USING ECOLAB USA INC. (US) 2025-03-20 WO disclosed
US-20250092312-A1 ANTIPOLYMERANT COMPOSITIONS WITH BENZOQUINONE OR NAPHTHOQUINONE AND OXYGENATED AMINOPHENOL AND METHODS OF USING ECOLAB USA INC. 2025-03-20 US disclosed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (4 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 CDC25B 2311/4885CDC25A 2137/4885AURKA 3085/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 CDC25B 2311/4885CDC25A 2137/4885AURKA 3085/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 CDC25B 2311/4885CDC25A 2137/4885AURKA 3085/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 CDC25B 2311/4885CDC25A 2137/4885AURKA 3085/4885

“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.