SCHEMBL3876540

SCHEMBL3876540

Nc1cc2oc3cc(N)c(O)cc3c2cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
KDR P35968 2/20 0.42
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALOX15 P16050 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
AHR P35869 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 1/20 0.37
PTPN1 P18031 1/20 0.37
MAOA P21397 1/20 0.37
FASN P49327 1/20 0.37

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
SCHEMBL3874881 0.90 EGFR (0.50) EGFRKDRALDH1A1HSD17B10KDM4E
SCHEMBL3705973 0.86 KDM4E (0.56) ALDH1A1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL20178964 0.83 MAOA (0.50) EGFRKDRALDH1A1HSD17B10KDM4E
SCHEMBL26450313 0.83 AHR (0.58) ALDH1A1HSD17B10KDM4EALOX15SMN1; SMN2
SCHEMBL26450328 0.83 AHR (0.53) EGFRALDH1A1HSD17B10KDM4EALOX15
SCHEMBL3876930 0.78 AHR (0.46) EGFRALDH1A1HSD17B10KDM4EALOX15
SCHEMBL3887841 0.78 KDR (0.54) KDRALDH1A1HSD17B10KDM4EALOX15
SCHEMBL14620306 0.78 ALDH1A1 (0.56) EGFRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL3878268 0.78 KDM4E (0.56) EGFRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL26450240 0.75 AHR (0.58) EGFRALDH1A1HSD17B10KDM4EALOX15

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 EGFR 1697/4885KDR 4095/4885ALDH1A1 660/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 EGFR 1697/4885KDR 4095/4885ALDH1A1 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.