SCHEMBL4949474

SCHEMBL4949474

Oc1ccc2ccn(OCc3ccccc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
ALOX5 P09917 3/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL4955326 0.84 SRC (0.41) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4954024 0.83 MAOB (0.41) HIF1AALDH1A1TSHRALOX5GAA
SCHEMBL29617408 0.82 TSHR (0.46) ALDH1A1TSHRALOX5MEN1KMT2A
SCHEMBL3334839 0.82 TSHR (0.46) ALDH1A1TSHRALOX5MEN1KMT2A
SCHEMBL4954100 0.80 ROCK1 (0.36) LMNAHDAC6ALDH1A1TSHRMAPT
SCHEMBL4952930 0.78 ROCK1 (0.39) ALDH1A1TSHRALOX5GAAMAPT
SCHEMBL4949193 0.78 CYP1A2 (0.42) CYP1A2CYP2C19ALDH1A1ALOX5MAPT
SCHEMBL4949646 0.78 CDC7 (0.36) LMNACYP1A2GAAMAPTCDC7
Cyclohexane SCHEMBL3204446 0.78 TSHR (0.43) ALDH1A1TSHRALOX5MEN1KMT2A
SCHEMBL13934408 0.75 CDC7 (0.35) LMNAALDH1A1GAAMAPTESR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
CN-101010118-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-08-01 CN disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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 (1 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C LMNA 593/4885CYP1A2 764/4885PTGS1 1940/4885

“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.