SCHEMBL4953010

SCHEMBL4953010

O=[N+]([O-])c1ccc(NCCCCCCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
GLA P06280 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
MAPT P10636 11/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 3/20 0.51
CHRM2 P08172 1/20 0.49
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL6673456 1.00 ALDH1A1 (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL7938661 0.98 ALDH1A1 (0.63) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL9820311 0.93 ALDH1A1 (0.65) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL18549022 0.91 ALDH1A1 (0.66) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL14117517 0.91 ALDH1A1 (0.66) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL1024700 0.86 MAPT (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL4951837 0.86 ALDH1A1 (0.73) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL11022003 0.84 MAPT (0.59) ALDH1A1GLASMN1; SMN2HPGDALOX12
Ammonia Solution, Strong SCHEMBL27496286 0.84 ABCG2 (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL9011397 0.83 MAPT (0.64) ALDH1A1GLASMN1; SMN2HPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-20060021158-A1 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2006-02-02 US disclosed
EP-1568684-A1 para-phenylenediamines carrying an alkoxy group, dye composition, preparation methods and their use L'OREAL (FR) 2005-08-31 EP disclosed
EP-1455741-A2 NOVEL DEVELOPER COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 EP disclosed
WO-2003053370-A2 NOVEL DEVELOPER COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 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-20060021158-A1 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof KRT18, NOTUM, ALDH7A1 ALDH1A1 236/4885GLA 2547/4885SMN1; SMN2 4883/4885

“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.