SCHEMBL3887899

SCHEMBL3887899

Nc1ccc(NCc2ccoc2)c2c1oc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.45
EGFR P00533 11/20 0.45
FLT4 P35916 4/20 0.45
KDR P35968 4/20 0.45
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3874939 0.80 IGF1R (0.42) IGF1REGFRFLT4KDRHPGD
SCHEMBL3879302 0.79 LMNA (0.51) IGF1REGFRFLT4KDRHPGD
SCHEMBL3876483 0.78 KDM4E (0.47) IGF1REGFRFLT4KDRHSD17B10
SCHEMBL3874942 0.77 UTS2R (0.38) IGF1REGFRFLT4KDRHPGD
SCHEMBL3873553 0.77 NR1I3 (0.40) IGF1REGFRFLT4KDRHPGD
SCHEMBL3881372 0.76 RECQL (0.51) IGF1REGFRFLT4KDRHPGD
SCHEMBL3877400 0.75 APP (0.40) IGF1REGFRFLT4KDRHPGD
SCHEMBL3875849 0.73 ALDH1A1 (0.53) IGF1REGFRFLT4KDRHPGD
SCHEMBL3876526 0.73 LMNA (0.39) IGF1REGFRFLT4KDRHPGD
SCHEMBL9698200 0.72 HPGD (0.46) HPGDHSD17B10ALDH1A1KDM4EGAA

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-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
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 IGF1R 4820/4885EGFR 1697/4885FLT4 3588/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 IGF1R 4820/4885EGFR 1697/4885FLT4 3588/4885

“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.