SCHEMBL17038532

SCHEMBL17038532

CC(C)(C)OC(=O)NCCc1ccc(O)c(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.51
CA2 P00918 6/20 0.48
CA1 P00915 4/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NQO2 P16083 1/20 0.46
NAMPT P43490 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC1 Q13547 1/20 0.40
PTGER4 P35408 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL25495856 0.90 CA2 (0.48) CA2CA1MAPTLMNAKDM4E
SCHEMBL30602611 0.85 NQO2 (0.45) CA2CA1MAPTLMNAKDM4E
SCHEMBL233765 0.85 MAPT (0.63) CA2CA1MAPTLMNAKDM4E
SCHEMBL30423117 0.85 MAPT (0.63) CA2CA1MAPTLMNAKDM4E
SCHEMBL3698093 0.83 ESRRG (0.53) CA2CA1MAPTLMNAKDM4E
SCHEMBL3114793 0.82 CA2 (0.55) CA2CA1MAPTLMNAKDM4E
SCHEMBL4451726 0.82 MAPT (0.51) CA2CA1MAPTLMNAKDM4E
SCHEMBL21307485 0.82 CA2 (0.53) CA2CA1MAPTLMNAKDM4E
SCHEMBL9108030 0.82 CA2 (0.53) CA2CA1MAPTLMNAKDM4E
SCHEMBL24715495 0.81 CA1 (0.41) CA2CA1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018174-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION VENTANA MED SYST INC (US) 2024-01-18 US disclosed
US-20240018174-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION VENTANA MED SYST INC (US) 2024-01-18 US disclosed
US-11780863-B2 Quinone methide analog signal amplification VENTANA MEDICAL SYSTEMS, INC. (US) 2023-10-10 US disclosed
US-11780863-B2 Quinone methide analog signal amplification VENTANA MEDICAL SYSTEMS, INC. (US) 2023-10-10 US disclosed
US-20220380520-A1 STRONG BINDING METAL-CHELATING RESINS USING MACROCYCLE MOLECULES SACHEM, INC. 2022-12-01 US disclosed
US-11365210-B2 Quinone methide analog signal amplification VENTANA MEDICAL SYSTEMS, INC. (US) 2022-06-21 US disclosed
EP-3492919-A2 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION Ventana Medical Systems, Inc. (US) 2019-06-05 EP disclosed
US-20190128893-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION VENTANA MED SYST INC (US) 2019-05-02 US disclosed
US-20190127405-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION VENTANA MED SYST INC (US) 2019-05-02 US disclosed
US-10168336-B2 Quinone methide analog signal amplification VENTANA MEDICAL SYSTEMS, INC. (US) 2019-01-01 US disclosed
US-20170089911-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION VENTANA MEDICAL SYSTEMS, INC. 2017-03-30 US disclosed
US-20170089911-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION VENTANA MEDICAL SYSTEMS, INC. 2017-03-30 US disclosed
WO-2015124703-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION VENTANA MEDICAL SYSTEMS, INC. (US) 2015-08-27 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 (7 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-20190128893-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION NQO2, SQOR, MRM1 CDK1 1999/4885CA2 2563/4885CA1 1613/4885
US-20190127405-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION NQO2, SQOR, MRM1 CDK1 1999/4885CA2 2563/4885CA1 1613/4885
US-11780863-B2 Quinone methide analog signal amplification NQO2, SQOR, MRM1 CDK1 1999/4885CA2 2563/4885CA1 1613/4885
US-20240018174-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION NQO2, SQOR, MRM1 CDK1 1999/4885CA2 2563/4885CA1 1613/4885
US-20170089911-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION NQO2, SQOR, MRM1 CDK1 1999/4885CA2 2563/4885CA1 1613/4885
US-10168336-B2 Quinone methide analog signal amplification NQO2, SQOR, MRM1 CDK1 1999/4885CA2 2563/4885CA1 1613/4885
US-11365210-B2 Quinone methide analog signal amplification NQO2, SQOR, MRM1 CDK1 1999/4885CA2 2563/4885CA1 1613/4885

“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.