SCHEMBL3884406

SCHEMBL3884406

Nc1cccc2oc3cccc(O)c3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
ALOX15 P16050 5/20 0.46
TSHR P16473 2/20 0.46
AR P10275 5/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
EGFR P00533 1/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAPT P10636 6/20 0.40
CYP3A4 P08684 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3874773 0.86 MAOA (0.59) MAOAALOX15TSHRAREGFR
SCHEMBL3872856 0.86 ALDH1A1 (0.43) MAOAALOX15TSHRESR1ESR2
SCHEMBL30845313 0.75 TSHR (0.52) ALOX15TSHREGFRAURKAAURKB
SCHEMBL444774 0.75 TSHR (0.52) ALOX15TSHREGFRAURKAAURKB
SCHEMBL29365168 0.75 TSHR (0.52) ALOX15TSHREGFRAURKAAURKB
SCHEMBL19142155 0.74 CD44 (0.48) TSHRESR1ESR2CYP3A4HPGD
SCHEMBL19802457 0.74 MEN1 (0.50) MAOAALOX15TSHRAREGFR
SCHEMBL28683594 0.73 MAOA (0.74) MAOAALOX15AREGFRMAPT
SCHEMBL30346466 0.73 MAOA (0.74) MAOAALOX15AREGFRMAPT
SCHEMBL7916033 0.73 TSHR (0.50) ALOX15TSHREGFRAURKAAURKB

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 MAOA 500/4885ALOX15 1141/4885TSHR 4709/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAOA 500/4885ALOX15 1141/4885TSHR 4709/4885

“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.