SCHEMBL3214440

SCHEMBL3214440

C=CCc1cc(C=O)cc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.59
KDM4E B2RXH2 1/20 0.52
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ERN1 O75460 1/20 0.42
VCAM1 P19320 1/20 0.41
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CASP6 P55212 1/20 0.39
GFER P55789 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL14185386 0.83 XDH (0.65) XDHALDH5A1ABATERN1VCAM1
SCHEMBL1001855 0.82 KDM4E (0.66) KDM4EGABRA1GABRB2MEN1ALDH1A1
SCHEMBL30853117 0.81 GPR35 (0.54) XDHKDM4EGABRA1GABRB2MEN1
SCHEMBL5141227 0.81 GPR35 (0.54) XDHKDM4EGABRA1GABRB2MEN1
SCHEMBL16345283 0.80 ERN1 (0.54) XDHKDM4EGABRA1GABRB2ERN1
SCHEMBL7040026 0.80 MAPT (0.46) XDHKDM4EGABRA1GABRB2MEN1
SCHEMBL15667473 0.80 GPR35 (0.61) XDHGABRA1GABRB2MEN1ALDH1A1
SCHEMBL6445118 0.80 GABRA1 (0.47) XDHKDM4EGABRA1GABRB2MEN1
SCHEMBL6897071 0.80 XDH (0.81) XDHALDH5A1ABATERN1VCAM1
SCHEMBL6045765 0.78 ALDH5A1 (0.54) XDHALDH5A1ABATGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393367-B2 Agent for dyeing keratin-based fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-07-01 US claimed
US-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-08 US claimed
EP-1879660-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2007019931-A1 AGENT FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-02-22 WO claimed
WO-2006119819-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US disclosed
US-7393367-B2 Agent for dyeing keratin-based fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-07-01 US disclosed
US-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-08 US disclosed
EP-1879660-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP disclosed
WO-2006119819-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 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 (2 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-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS KRT18, KAT5, H1-5 XDH 4234/4885KDM4E 1661/4885ALDH5A1 643/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 XDH 232/4885KDM4E 1659/4885ALDH5A1 421/4885

“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.