SCHEMBL3098063

SCHEMBL3098063

O=Cc1cc(Br)c(O)c(CN2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.48
TSHR P16473 2/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
ALOX15 P16050 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
MPI P34949 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 5/20 0.43

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
SCHEMBL3103663 0.98 GFER (0.49) GFERTSHRKDM4ELMNAALOX15
SCHEMBL3088393 0.86 CYP2C9 (0.50) GFERKDM4ELMNAALOX15CYP2D6
SCHEMBL3094374 0.85 GFER (0.45) GFERKDM4ELMNAALOX15GAA
SCHEMBL3091901 0.83 ALDH1A1 (0.51) GFERTSHRKDM4ELMNAHTT
SCHEMBL3084508 0.82 METAP2 (0.46) GFERTSHRKDM4ELMNAALOX15
SCHEMBL3101191 0.82 GAA (0.57) GFERTSHRKDM4ELMNASMN1; SMN2
SCHEMBL3089619 0.81 ALDH1A1 (0.47) GFERTSHRKDM4ELMNAALOX15
SCHEMBL3100738 0.80 GAA (0.56) TSHRKDM4ELMNASMN1; SMN2L3MBTL1
SCHEMBL3097389 0.80 GAA (0.42) GFERTSHRKDM4ELMNACYP1A2
SCHEMBL17982782 0.76 ACHE (0.62) GFERTSHRKDM4ELMNATP53

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 GFER 772/4885TSHR 4820/4885KDM4E 1842/4885

“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.