SCHEMBL3886263

SCHEMBL3886263

Cn1c2cc(O)ccc2c2ccc(O)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
ESR1 P03372 2/20 0.47
GPR3 P46089 1/20 0.44
TTR P02766 1/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL1538292 0.89 GPR3 (0.64) BCHEACHEGPR3EGFRSRC
SCHEMBL3881179 0.88 BCHE (0.44) BCHEACHEESR1TTREGFR
SCHEMBL28164522 0.87 ATM (0.51) BCHEACHEESR1TTREGFR
SCHEMBL1856523 0.84 MAPT (0.53) BCHEACHEEGFRSRCKDM4E
SCHEMBL12355218 0.84 BCHE (0.53) BCHEACHEESR1TTRKDM4E
SCHEMBL6046305 0.83 ADORA3 (0.54) BCHEACHEESR1MAPT
SCHEMBL1929490 0.83 ACHE (0.51) BCHEACHEESR1EGFRSRC
SCHEMBL30777875 0.82 CYP2C9 (0.50) BCHEACHEESR1TTREGFR
SCHEMBL26768260 0.82 CYP2C9 (0.50) BCHEACHEESR1TTREGFR
SCHEMBL11808516 0.80 BCHE (0.67) BCHEACHEESR1GPR3EGFR

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 9 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-20070073034-A1 Pseudo-donor-containing second-order nonlinear optical chromophores with improved stability and electro-optic polymers covalently incorporating the same PACIFIC WAVE INDUSTRIES, INC. 2007-03-29 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 BCHE 1971/4885ACHE 1082/4885ESR1 3378/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 BCHE 1971/4885ACHE 1082/4885ESR1 3378/4885

“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.