SCHEMBL692076

SCHEMBL692076

O=C(O)c1cc(=O)n(C2CCCCC2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALKBH5 Q6P6C2 10/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.39
LDHA P00338 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17256527 0.75 ALDH1A1 (0.64) ALDH1A1KDM4EGAAHSD17B10POLB
SCHEMBL11532815 0.70 ALDH1A1 (0.37) ALDH1A1RAB9AKDM4EPARP1PARP2
SCHEMBL1777015 0.69 ALKBH5 (0.50) ALDH1A1ALKBH5CYP2C19SMN1; SMN2
SCHEMBL4760729 0.68 KDM4E (0.43) ALDH1A1KDM4ELDHAGAAHSD17B10
SCHEMBL10795036 0.67 L3MBTL1 (0.44) ALDH1A1RAB9AKDM4EGAAHSD17B10
SCHEMBL1267392 0.66 ALKBH5 (0.49) ALDH1A1ALKBH5KDM4ESMN1; SMN2
SCHEMBL10903062 0.66 ALKBH5 (0.44) ALDH1A1ALKBH5SMN1; SMN2
SCHEMBL18717642 0.64 GFER (0.59) ALDH1A1RAB9AKDM4EPARP1PARP2
SCHEMBL18611874 0.64 ALDH1A1 (0.47) ALDH1A1KDM4EGAAHSD17B10POLB
SCHEMBL18611865 0.61 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7988740-B2 Keratin dyeing compositions comprising a radical scavenger and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-08-02 US claimed
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof NOXELL CORPORATION 2011-02-17 US claimed
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
US-7988740-B2 Keratin dyeing compositions comprising a radical scavenger and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-08-02 US disclosed
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof NOXELL CORPORATION 2011-02-17 US disclosed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 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-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof KRT18, LPO, CYB5R3 ALDH1A1 326/4885ALKBH5 413/4885RAB9A 3902/4885

“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.