SCHEMBL3091901

SCHEMBL3091901

O=Cc1cc(Br)c(O)c(CN2CCCC(O)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HTT P42858 3/20 0.51
GAA P10253 1/20 0.51
XBP1 P17861 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CCR5 P51681 2/20 0.43
TSHR P16473 3/20 0.43
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL3097389 0.93 GAA (0.42) ALDH1A1HTTGAAXBP1MAPK1
SCHEMBL3097914 0.85 ALDH1A1 (0.51) ALDH1A1HTTGAAXBP1MAPK1
SCHEMBL3084472 0.85 GAA (0.51) ALDH1A1HTTGAAXBP1MAPK1
SCHEMBL3094374 0.85 GFER (0.45) ALDH1A1GAACCR5KDM4EPOLB
SCHEMBL3103663 0.84 GFER (0.49) ALDH1A1HTTGAAMAPK1NPSR1
SCHEMBL3098063 0.83 GFER (0.48) ALDH1A1HTTGAANPSR1TSHR
SCHEMBL3086303 0.78 ALDH1A1 (0.42) ALDH1A1HTTGAAXBP1MAPK1
SCHEMBL3097253 0.77 KDM4E (0.48) ALDH1A1HTTGAAXBP1MAPK1
SCHEMBL3088393 0.76 CYP2C9 (0.50) ALDH1A1HTTGAANPSR1KDM4E
SCHEMBL3103888 0.74 TSHR (0.56) ALDH1A1HTTGAAXBP1MAPK1

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 9 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
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 ALDH1A1 426/4885HTT 1247/4885GAA 3583/4885

“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.