SCHEMBL3874347

SCHEMBL3874347

Cc1cc(N(C)CC(O)C(O)C(O)C(O)CO)c2oc3ccccc3c2c1N

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.31
KDM4E B2RXH2 3/20 0.31
AHR P35869 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOA P21397 1/20 0.31
GAA P10253 3/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
USP2 O75604 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3874513 0.88 MKNK1 (0.35) KDM4EAHRNPC1MAPTRAB9A
SCHEMBL3881163 0.83 CYP17A1 (0.35) EGFRGAA
SCHEMBL3875285 0.81 PRKDC (0.38) KDM4EAHRNPC1MAPTRAB9A
SCHEMBL3885319 0.80 MKNK1 (0.35) KDM4EAHRNPC1MAPTRAB9A
SCHEMBL3876103 0.78 MEN1 (0.36) EGFRKDM4EMAPTALDH1A1
SCHEMBL3873730 0.77 ALDH1A1 (0.32) EGFRNPC1MAPTRAB9AALDH1A1
SCHEMBL3876130 0.76 MAPT (0.36) EGFRMAPT
SCHEMBL3878151 0.75 KDM4E (0.42) KDM4EAHRMAPTMAOAGAA
SCHEMBL3873138 0.75 ALDH1A1 (0.32) EGFRNPC1MAPTRAB9AALDH1A1
SCHEMBL3881132 0.72 PRKDC (0.38) KDM4EAHRMAPTMAOAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (2 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 EGFR 1697/4885KDM4E 1549/4885AHR 1457/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 EGFR 1697/4885KDM4E 1549/4885AHR 1457/4885

“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.