SCHEMBL4953756

SCHEMBL4953756

CCCC(Nc1ccc(N)cc1)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.39
▸ TDP1 Q9NUW8 6/20 0.35
▸ CYP3A4 P08684 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ TSHR P16473 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
SCHEMBL11637355 0.81 TDP1 (0.43) TDP1CYP3A4ALDH1A1L3MBTL1TSHR
SCHEMBL4619993 0.77 TDP1 (0.40) NR4A1TDP1CYP3A4ALDH1A1L3MBTL1
SCHEMBL21799611 0.76 ALDH1A1 (0.54) NR4A1TDP1CYP3A4ALDH1A1L3MBTL1
SCHEMBL7736357 0.74 ALDH1A1 (0.50) TDP1CYP3A4ALDH1A1L3MBTL1TSHR
SCHEMBL21799960 0.74 ALDH1A1 (0.42) NR4A1TDP1CYP3A4ALDH1A1L3MBTL1
SCHEMBL23368385 0.71 CYP11B1 (0.31) —
SCHEMBL25560558 0.71 TLR8 (0.45) TDP1CYP3A4ALDH1A1L3MBTL1TSHR
SCHEMBL448536 0.71 NR4A1 (0.45) NR4A1TDP1CYP3A4ALDH1A1L3MBTL1
SCHEMBL4951775 0.70 TDP1 (0.42) NR4A1TDP1CYP3A4ALDH1A1L3MBTL1
SCHEMBL11637422 0.70 TDP1 (0.39) TDP1ALDH1A1SMN1; SMN2MAPK1MAPT

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 2 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-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

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 NR4A1 4018/4885TDP1 2219/4885CYP3A4 289/4885

“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.

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