SCHEMBL12467451

SCHEMBL12467451

Cc1cc(O)n(Cc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35

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
SCHEMBL28064172 0.83 MAPT (0.36) MAPTTP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL12402397 0.78 PTGS2 (0.48) ALDH1A1TSHRKMT2AMEN1GRN
SCHEMBL5803930 0.74 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL11688581 0.71 ALDH1A1 (0.51) MAPTTP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL331655 0.69 TSHR (0.52) MAPTSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL29626454 0.69 TSHR (0.52) MAPTSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL21726593 0.69 TSHR (0.55) SMN1; SMN2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL2911214 0.68 ALOX5 (0.50) MAPTSMN1; SMN2ALDH1A1TDP1KMT2A
SCHEMBL18274793 0.68 TSHR (0.50) MAPTSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL27881834 0.68 TSHR (0.50) MAPTSMN1; SMN2ALDH1A1TSHRHSD17B10

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-7985266-B2 Keratin dyeing compositions comprising a radical scavenger and a chelant and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-07-26 — — US disclosed
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof NOXELL CORPORATION 2011-02-17 — — 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-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof KRT18, LPO, KRTCAP2 MAPT 547/4885TP53 794/4885SMN1; SMN2 4820/4885

“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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