SCHEMBL3874960

SCHEMBL3874960

Oc1cc2oc3ccccc3c2cc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.59
KDM4E B2RXH2 6/20 0.57
MAPT P10636 6/20 0.57
HPGD P15428 5/20 0.57
HSD17B10 Q99714 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CASP7 P55210 3/20 0.57
GAA P10253 2/20 0.57
MCL1 Q07820 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
CASP3 P42574 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
CASP6 P55212 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53

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
SCHEMBL172890 0.84 MAOA (0.54) AHRKDM4EMAPTHPGDHSD17B10
SCHEMBL31512480 0.84 MAOA (0.69) KDM4EMAPTHPGDHSD17B10MEN1
SCHEMBL3705973 0.84 KDM4E (0.56) AHRKDM4EMAPTHPGDHSD17B10
SCHEMBL15946263 0.84 AHR (0.52) AHRKDM4EMAPTHPGDHSD17B10
SCHEMBL1954261 0.84 MAOA (0.69) KDM4EMAPTHPGDHSD17B10MEN1
SCHEMBL15656958 0.84 AHR (0.52) AHRKDM4EMAPTHPGDHSD17B10
SCHEMBL3878268 0.84 KDM4E (0.56) AHRKDM4EMAPTHPGDHSD17B10
SCHEMBL31192626 0.84 AHR (0.52) AHRKDM4EMAPTHPGDHSD17B10
SCHEMBL571563 0.84 AHR (0.71) AHRKDM4EMAPTHPGDHSD17B10
SCHEMBL16919496 0.84 AHR (0.71) AHRKDM4EMAPTHPGDHSD17B10

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 AHR 1457/4885KDM4E 1549/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 AHR 1457/4885KDM4E 1549/4885MAPT 420/4885

“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.