SCHEMBL3874504

SCHEMBL3874504

Nc1cc(O)cc2oc3cc(O)cc(N)c3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.50
GAA P10253 3/20 0.50
SI P14410 3/20 0.50
MGAM2 Q2M2H8 3/20 0.50
MAOA P21397 5/20 0.41
PIM1 P11309 3/20 0.41
FASN P49327 2/20 0.41
NUAK1 O60285 2/20 0.41
IGF1R P08069 2/20 0.41
SRC P12931 2/20 0.41
KDR P35968 2/20 0.41
PLK1 P53350 2/20 0.41
PKN1 Q16512 2/20 0.41
AURKB Q96GD4 2/20 0.41
ALK Q9UM73 2/20 0.41
PTPN1 P18031 2/20 0.41
MMP1 P03956 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL3881299 0.80 GAA (0.57) MGAMGAASIMGAM2MAOA
SCHEMBL6904702 0.75 ALDH1A1 (0.70) MGAMGAASIMGAM2PIM1
SCHEMBL504349 0.74 MGAM (0.74) MGAMGAASIMGAM2MAOA
SCHEMBL31388003 0.70 KDR (0.66) MGAMGAASIMGAM2MAOA
SCHEMBL29199340 0.70 KDR (0.66) MGAMGAASIMGAM2MAOA
SCHEMBL19236381 0.69 MEN1 (0.76) MGAMGAASIMGAM2MAOA
SCHEMBL10082400 0.68 MGAM (0.59) MGAMGAASIMGAM2MAOA
SCHEMBL9838561 0.67 MGAM (1.00) MGAMGAASIMGAM2MAOA
SCHEMBL30542658 0.67 MGAM (1.00) MGAMGAASIMGAM2MAOA
SCHEMBL2200370 0.66 BACE1 (0.47) GAAALDH1A1HSD17B10KDM4EMAPT

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 8 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
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 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 MGAM 2266/4885GAA 3637/4885SI 786/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MGAM 2266/4885GAA 3637/4885SI 786/4885

“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.