SCHEMBL5154198

SCHEMBL5154198

COc1cc(C(=O)O)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TPMT P51580 6/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PTGS2 P35354 1/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL12271793 0.82 KDM4E (0.44) CA1CA2CA12CA7CA9
SCHEMBL12272264 0.77 CA12 (0.36) CA1CA2CA12CA9CA14
SCHEMBL21570127 0.73 CYP1A2 (0.55) CA1CA2CA12CA7CA9
SCHEMBL6438124 0.72 TPMT (0.44) TPMTKDM4ERXRA
SCHEMBL5158008 0.72 CA12 (0.41) CA1CA2CA12CA4CA6
SCHEMBL2783116 0.72 CYP2C9 (0.54) CA1CA2CA12CA7CA9
SCHEMBL21570215 0.72 HDAC3 (0.38) CA1CA2CA12CA4CA6
SCHEMBL10941908 0.71 TPMT (0.43) CA1CA2CA12CA7CA9
SCHEMBL31352250 0.71 TPMT (0.38) CA1CA2CA12CA7CA9
SCHEMBL18348294 0.71 TTR (0.40) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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 (3 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-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 CA1 322/4885CA2 249/4885CA12 1157/4885
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 CA1 1683/4885CA2 1639/4885CA12 1267/4885
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 CA1 322/4885CA2 249/4885CA12 1157/4885

“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.