SCHEMBL5200415

SCHEMBL5200415

Cn1ccc(O)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
KDM4E B2RXH2 4/20 0.38
KDM6A O15550 1/20 0.38
KDM4A O75164 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM5C P41229 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
DOHH Q9BU89 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
MMP9 P14780 2/20 0.35
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL2781478 0.77 NOTUM (0.41) CA12CA1CA2CA7CA9
SCHEMBL866606 0.77 ALDH1A1 (0.39) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL27341809 0.76 DPP4 (0.39) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL28872653 0.76 GPR35 (0.40) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL12494600 0.76 KDM4E (0.33) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL23356002 0.74 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL9723823 0.71 NOTUM (0.40) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL12821451 0.70 LMNA (0.32) ALDH1A1HSD17B10
SCHEMBL5493295 0.68 NOTUM (0.41) CA12CA1CA2CA7CA9
SCHEMBL5154621 0.68 SELL (0.34) CA12CA1CA2CA7CA9

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 5 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-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 (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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 CA12 1267/4885CA1 1683/4885CA2 1639/4885

“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.