SCHEMBL3881372

SCHEMBL3881372

Nc1ccc(NCCO)c2c1oc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
EGFR P00533 2/20 0.40
IGF1R P08069 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
CYP2C19 P33261 2/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAD52 P43351 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
TTR P02766 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
SCHEMBL3875849 0.92 ALDH1A1 (0.53) RECQLMAPTALDH1A1EGFRIGF1R
SCHEMBL3881089 0.89 RECQL (0.51) RECQLMAPTALDH1A1EGFRIGF1R
SCHEMBL3876483 0.83 KDM4E (0.47) MAPTALDH1A1EGFRIGF1RFLT4
SCHEMBL3878198 0.81 ALDH1A1 (0.53) RECQLMAPTALDH1A1EGFRIGF1R
SCHEMBL3874539 0.79 RECQL (0.50) RECQLMAPTALDH1A1CYP2C19KDM4E
SCHEMBL3882591 0.76 RECQL (0.50) RECQLMAPTALDH1A1CYP2C19KDM4E
SCHEMBL3879302 0.76 LMNA (0.51) RECQLMAPTALDH1A1EGFRIGF1R
SCHEMBL3873553 0.76 NR1I3 (0.40) MAPTALDH1A1EGFRIGF1RFLT4
SCHEMBL3887899 0.76 IGF1R (0.45) MAPTALDH1A1EGFRIGF1RFLT4
SCHEMBL21129120 0.75 POLB (0.50) MAPTALDH1A1CYP2C19KDM4EGAA

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 RECQL 3788/4885MAPT 420/4885ALDH1A1 660/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 RECQL 3788/4885MAPT 420/4885ALDH1A1 660/4885

“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.