SCHEMBL3084508

SCHEMBL3084508

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 4/20 0.43
GLA P06280 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
STAT6 P42226 1/20 0.43
POLB P06746 3/20 0.42
ALDH1A3 P47895 1/20 0.42
HIF1A Q16665 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3089619 0.98 ALDH1A1 (0.47) METAP2NPC1ALDH1A1LMNAHTT
SCHEMBL3097242 0.86 HSD17B10 (0.50) METAP2NPC1ALDH1A1LMNAHTT
SCHEMBL3080730 0.85 ALDH1A1 (0.47) ALDH1A1LMNAHTTKDM4EGLA
SCHEMBL3097914 0.83 ALDH1A1 (0.51) ALDH1A1LMNAHTTKDM4EGLA
SCHEMBL3098063 0.82 GFER (0.48) METAP2NPC1ALDH1A1LMNAHTT
SCHEMBL3103663 0.81 GFER (0.49) NPC1ALDH1A1LMNAHTTKDM4E
SCHEMBL3086303 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHTTKDM4EGAA
SCHEMBL7064678 0.80 ALDH1A1 (0.68) METAP2NPC1ALDH1A1LMNAHTT
SCHEMBL3101191 0.79 GAA (0.57) ALDH1A1LMNAKDM4EGAAPOLB
SCHEMBL3210905 0.78 ALDH1A1 (0.69) METAP2NPC1ALDH1A1LMNAHTT

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 8 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
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
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 METAP2 4098/4885NPC1 3791/4885ALDH1A1 426/4885

“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.