SCHEMBL14596277

SCHEMBL14596277

CCN(CCCCCCN(CC)c1ccc(N)cc1)CCCCCCN(CC)c1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TDP1 Q9NUW8 3/20 0.62
MAPK1 P28482 3/20 0.62
TSHR P16473 3/20 0.62
CYP3A4 P08684 2/20 0.62
PSMD14 O00487 1/20 0.62
RECQL P46063 1/20 0.62
GFER P55789 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 1/20 0.43
KCNH2 Q12809 5/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL30678627 0.87 TDP1 (0.64) ALDH1A1TDP1MAPK1TSHRCYP3A4
SCHEMBL14596279 0.87 ALDH1A1 (0.69) ALDH1A1TDP1MAPK1TSHRCYP3A4
SCHEMBL25189789 0.85 TDP1 (0.67) ALDH1A1TDP1MAPK1TSHRCYP3A4
SCHEMBL9521212 0.84 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1TSHRCYP3A4
SCHEMBL29740663 0.82 ALDH1A1 (0.82) ALDH1A1TDP1MAPK1TSHRCYP3A4
Hydrochloric Acid SCHEMBL11695056 0.82 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1TSHRCYP3A4
SCHEMBL8065422 0.82 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1TSHRCYP3A4
SCHEMBL6389517 0.80 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1TSHRCYP3A4
SCHEMBL8063907 0.80 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1TSHRCYP3A4
SCHEMBL7771003 0.79 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739079-A1 Novel bis-para-phenylendiamins joined by a linker arm comprising a sulphur or nitrogen atom and their use in dyeing L'OREAL (FR) 2007-01-03 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-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers KRT18, DSP, CDC73 ALDH1A1 798/4885TDP1 2060/4885MAPK1 3482/4885

“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.