SCHEMBL4625538

SCHEMBL4625538

CC(=O)c1ccc([N+]2(C)CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
CYP1A1 P04798 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 5/20 0.41
ATM Q13315 1/20 0.41
USP2 O75604 1/20 0.41
PABPC1 P11940 1/20 0.41
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
CYP2C9 P11712 2/20 0.38
PTGS2 P35354 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B1 P14061 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6848520 0.91 POLB (0.41) KDM4ECYP1A1SMN1; SMN2LMNAMAPT
Nitric Acid SCHEMBL8345678 0.91 MAPK1 (0.45) KDM4ECYP1A1SMN1; SMN2LMNAMAPT
SCHEMBL7048424 0.89 ALDH1A1 (0.40) KDM4ECYP1A1SMN1; SMN2LMNAMAPT
SCHEMBL6843056 0.84 USP2 (0.38) KDM4ECYP1A1SMN1; SMN2LMNAMAPT
SCHEMBL4626526 0.83 HPGD (0.54) SMN1; SMN2LMNAMAPTATMRAB9A
SCHEMBL6847147 0.76 HPGD (0.47) SMN1; SMN2LMNAMAPTRAB9AHPGD
SCHEMBL4626490 0.74 CYP2A6 (0.39) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL15293601 0.74 CYP1A2 (0.43) SMN1; SMN2LMNAMAPTUSP2RAB9A
SCHEMBL1017455 0.70 PHGDH (0.69) KDM4ECYP1A1SMN1; SMN2MAPTHPGD
SCHEMBL50646 0.69 MAPT (0.68) KDM4ESMN1; SMN2LMNAMAPTRAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
US-7344656-B2 Storing a composition in an alcoholic gel TRUOX, INC. (US) 2008-03-18 US claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed
EP-1585489-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP claimed
WO-2005013913-A2 PEROXYGEN CONTAINING PARTICLE IN AN ALCOHOL CONTAINING GEL MATERIALS TECHNOLOGY LABORATORIES, INC. (US) 2005-02-17 WO claimed
US-20050032660-A1 Storing a composition in an alcoholic gel TRUOX, INC. 2005-02-10 US claimed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1139990-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2004-05-06 EP claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
US-7465411-B2 Catalyst-mediated in-situ generation of dioxirane TRUOX, INC. (US) 2008-12-16 US disclosed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP disclosed
US-7344656-B2 Storing a composition in an alcoholic gel TRUOX, INC. (US) 2008-03-18 US disclosed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO disclosed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP disclosed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP 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-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 KDM4E 1076/4885CYP1A1 888/4885SMN1; SMN2 4730/4885

“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.