SCHEMBL4356085

SCHEMBL4356085

CNc1ccc(O)cc1.Cc1cc(O)ccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.66
▸ CYP3A4 P08684 4/20 0.66
▸ THRB P10828 3/20 0.66
▸ TDP1 Q9NUW8 3/20 0.66
▸ ALOX15 P16050 2/20 0.66
▸ RECQL P46063 2/20 0.66
▸ HIF1A Q16665 2/20 0.66
▸ TP53 P04637 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ APP P05067 7/20 0.48
▸ TSHR P16473 3/20 0.42
▸ MAPT P10636 4/20 0.39
▸ SULT1A1 P50225 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PEPD P12955 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ BRD4 O60885 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
SCHEMBL29357630 0.84 — —
SCHEMBL34069 0.84 — —
SCHEMBL4870452 0.84 CYP3A4 (0.61) ALDH1A1CYP3A4THRBTDP1ALOX15
Hydrochloric Acid SCHEMBL4653710 0.82 CYP3A4 (0.59) ALDH1A1CYP3A4THRBTDP1ALOX15
Bromide SCHEMBL11087469 0.82 CYP3A4 (0.59) ALDH1A1CYP3A4THRBTDP1ALOX15
Methane SCHEMBL27914972 0.82 CYP3A4 (0.59) ALDH1A1CYP3A4THRBTDP1ALOX15
SCHEMBL4732895 0.82 CYP3A4 (0.59) ALDH1A1CYP3A4THRBTDP1ALOX15
Hydrochloric Acid SCHEMBL29836028 0.82 CYP3A4 (0.59) ALDH1A1CYP3A4THRBTDP1ALOX15
4-Aminophenol SCHEMBL27512906 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4THRBTDP1ALOX15
SCHEMBL5342377 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4THRBTDP1ALOX15

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-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 — — US claimed
WO-2018048924-A1 GEL NETWORK HAIR TREATMENT COMPOSITIONS WITH REDUCED ODOR NOXELL CORPORATION (US) 2018-03-15 — — 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-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX ALDH1A1 510/4885CYP3A4 197/4885THRB 4037/4885

“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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