SCHEMBL5156582

SCHEMBL5156582

COc1coc(C(=O)O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 1/20 0.50
MAPT P10636 3/20 0.42
TPMT P51580 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
EDNRA P25101 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 3/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA3 P07451 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.37

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
SCHEMBL6857897 0.84 CHRNA4 (0.50) CHRNA4MAPTTPMTTDP1CA9
SCHEMBL3060766 0.82 CHRNA4 (0.49) CHRNA4MAPTTPMTTDP1SMN1; SMN2
SCHEMBL10888814 0.80 CA12 (0.47) CHRNA4MAPTTPMTTDP1EDNRA
SCHEMBL28064902 0.79 CHRNA4 (0.47) CHRNA4MAPTCA1CA2SMN1; SMN2
SCHEMBL6856079 0.79 CHRNA4 (0.47) CHRNA4MAPTCA9SMN1; SMN2PKM
SCHEMBL22469564 0.76 MAOB (0.41) MAPTTDP1CA12CA1CA2
SCHEMBL10635645 0.71 RXRA (0.47) MAPTEDNRASMN1; SMN2ALDH1A1HPGD
SCHEMBL5153364 0.69 CHRNA4 (0.49) CHRNA4MAPTTPMTTDP1EDNRA
SCHEMBL25024626 0.69 SMN1; SMN2 (0.41) MAPTTDP1EDNRASMN1; SMN2ALDH1A1
SCHEMBL2762092 0.69 CYP1A2 (0.48) MAPTTPMTTDP1EDNRACA12

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-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
CN-1913865-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-14 CN disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 CHRNA4 3557/4885MAPT 290/4885TPMT 3305/4885

“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.