SCHEMBL5150996

SCHEMBL5150996

COc1cc(C(=O)O)oc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.50
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 4/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA5A P35218 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
SCHEMBL11296017 0.80 HSD17B10 (0.54) PIM1ALDH1A1HPGDMAPTTDP1
SCHEMBL4766674 0.73 PIM1 (0.55) PIM1ALDH1A1HPGDMAPTKDM4E
SCHEMBL18384672 0.71 PDE4A (0.55) PIM1ALDH1A1HPGDMAPTTDP1
SCHEMBL11746205 0.70 PIM1 (0.67) PIM1ALDH1A1MAPTTDP1POLB
SCHEMBL978037 0.68 LMNA (0.77) PIM1ALDH1A1MAPTPOLBKDM4E
SCHEMBL11748494 0.68 ALDH1A1 (0.49) PIM1ALDH1A1HPGDTDP1POLB
SCHEMBL11278711 0.68 PIM1 (0.50) PIM1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL11739986 0.68 PIM1 (0.50) PIM1ALDH1A1HPGDMAPTTDP1
SCHEMBL11746767 0.68 CA12 (0.54) PIM1ALDH1A1HPGDMAPTTDP1
SCHEMBL6241919 0.68 ALDH1A1 (0.60) PIM1ALDH1A1HPGDMAPTTDP1

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 PIM1 2091/4885ALDH1A1 782/4885HPGD 190/4885

“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.