SCHEMBL691604

SCHEMBL691604

C#Cc1cc(=O)n(-c2ccc(C(=O)O)cc2)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 2/20 0.61
ALKBH5 Q6P6C2 9/20 0.47
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 3/20 0.41
DDAH1 O94760 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
KAT8 Q9H7Z6 2/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 1/20 0.37
SCN2A Q99250 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
SCHEMBL693015 0.78 ALKBH5 (0.73) KMT2AALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL394287 0.76 ALDH1A1 (1.00) KMT2AALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL7958529 0.76 ALDH1A1 (0.67) KMT2AALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL4620010 0.66 MAPT (0.51) KMT2AALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL7744001 0.66 ALDH1A1 (0.53) KMT2AALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL160187 0.65 TSHR (0.57) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL951472 0.64 ALKBH5 (0.73) ALDH1A1MAPTALKBH5POLBL3MBTL1
Terephthalic Acid SCHEMBL29199063 0.63 TSHR (0.92) ALDH1A1SMN1; SMN2CA12CA1CA9
Terephthalic Acid SCHEMBL104074 0.63 TSHR (0.92) ALDH1A1SMN1; SMN2CA12CA1CA9
Terephthalic Acid SCHEMBL1115993 0.63 TSHR (0.92) ALDH1A1SMN1; SMN2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
US-7988740-B2 Keratin dyeing compositions comprising a radical scavenger and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-08-02 US claimed
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof NOXELL CORPORATION 2011-02-17 US claimed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
US-7988740-B2 Keratin dyeing compositions comprising a radical scavenger and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-08-02 US disclosed
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof NOXELL CORPORATION 2011-02-17 US disclosed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 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-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof KRT18, LPO, CYB5R3 KMT2A 2020/4885ALDH1A1 326/4885MAPT 537/4885

“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.