SCHEMBL6068046

SCHEMBL6068046

Nc1csc(-c2c(O)cccc2O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
PLAU P00749 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
ALOX15 P16050 3/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5712543 0.93 ALOX15 (0.39) MAOAPLAUCTDSP1ALDH1A1TDP1
SCHEMBL28750726 0.80 HTR2B (0.44) ALDH1A1TDP1ALOX15TSHRLMNA
SCHEMBL9519557 0.79 CD44 (0.37) PLAUALDH1A1TDP1TSHRCA1
SCHEMBL6067818 0.78 CYP3A4 (0.42) MAOAALDH1A1TDP1ALOX15TSHR
SCHEMBL6067992 0.78 MAOA (0.38) MAOAALDH1A1TDP1ALOX15TSHR
SCHEMBL19990277 0.75 HSD17B1 (0.55) ALDH1A1ALOX15HSD17B10CA14HSD17B1
SCHEMBL5712512 0.74 TSHR (0.36) MAOAALDH1A1TDP1ALOX15TSHR
SCHEMBL5712444 0.74 TSHR (0.37) MAOAALDH1A1TDP1ALOX15TSHR
SCHEMBL4489979 0.74 MAOA (0.48) MAOAALDH1A1TDP1TSHRLMNA
SCHEMBL5705050 0.73 CASP1 (0.42) PLAUCTDSP1ALDH1A1TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100349886-C 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2007-11-21 CN disclosed
US-7125428-B2 1,3-Dihydroxybenzene derivatives and colorants containing said compounds WELLA AG (DE) 2006-10-24 US disclosed
CN-1633426-A 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2005-06-29 CN disclosed
US-20040016063-A1 1,3-Dihydroxybenzene derivatives and colorants containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2004-01-29 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-20040016063-A1 1,3-Dihydroxybenzene derivatives and colorants containing said compounds KRT18, DSP, COL1A1 MAOA 1084/4885PLAU 2954/4885CTDSP1 1343/4885

“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.