SCHEMBL3097253

SCHEMBL3097253

COc1cc(C=O)cc(CN2CCC(O)C2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
GAA P10253 8/20 0.47
CD274 Q9NZQ7 7/20 0.45
PDCD1 Q15116 4/20 0.45
MAPK1 P28482 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDCD1LG2 Q9BQ51 3/20 0.42
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
NFKB1 P19838 1/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL3084472 0.93 GAA (0.51) KDM4EGAAMAPK1MAPTLMNA
SCHEMBL3097222 0.93 KDM4E (0.56) KDM4EGAACD274PDCD1MAPK1
SCHEMBL3097389 0.84 GAA (0.42) KDM4EGAACD274PDCD1MAPK1
SCHEMBL3100738 0.82 GAA (0.56) KDM4EGAAMAPK1MAPTLMNA
SCHEMBL3086303 0.81 ALDH1A1 (0.42) KDM4EGAACD274PDCD1MAPK1
SCHEMBL3101191 0.81 GAA (0.57) KDM4EGAAMAPK1MAPTLMNA
SCHEMBL3103923 0.79 GAA (0.53) KDM4EGAAMAPK1MAPTLMNA
SCHEMBL3091901 0.77 ALDH1A1 (0.51) KDM4EGAAMAPK1LMNAMEN1
SCHEMBL3094374 0.76 GFER (0.45) KDM4EGAAMAPTLMNAMEN1
SCHEMBL3097914 0.75 ALDH1A1 (0.51) KDM4EGAAMAPK1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US claimed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US claimed
EP-2069022-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN Henkel AG & Co. KGaA (DE) 2009-06-17 EP claimed
WO-2008074578-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN HENKEL AG & CO. KGAA (DE) 2008-06-26 WO claimed
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US disclosed
WO-2008074578-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN HENKEL AG & CO. KGAA (DE) 2008-06-26 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-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS KRT18, CRYAA, CKAP4 KDM4E 1842/4885GAA 3583/4885CD274 2226/4885

“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.