SCHEMBL4418399

SCHEMBL4418399

Cc1cc2c(ccc3sccc32)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.44
CYP1A1 P04798 5/20 0.44
CYP1B1 Q16678 5/20 0.44
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DYRK1A Q13627 1/20 0.31

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
SCHEMBL4120120 0.79 CYP1A2 (0.53) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL4420664 0.78 MAPT (0.37) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL15851182 0.75 CYP1A2 (0.55) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL18810297 0.75 CYP1A2 (0.55) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL12278160 0.75 CYP1A2 (0.55) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL4424018 0.74 CYP1A2 (0.40) CYP1A2CYP1A1CYP1B1KDM4EMAPT
SCHEMBL5039552 0.74
SCHEMBL2498909 0.72 KDM4E (0.45) KDM4EMAPTGAAALDH1A1HTT
SCHEMBL29352476 0.72 KDM4E (0.45) KDM4EMAPTGAAALDH1A1HTT
SCHEMBL12591047 0.68 ELANE (0.37) KDM4EMAPTGAAALDH1A1HTT

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-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP1A2 640/4885CYP1A1 292/4885CYP1B1 189/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP1A2 640/4885CYP1A1 292/4885CYP1B1 189/4885

“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.