SCHEMBL927384

SCHEMBL927384

CC(C)(C)c1ccccc1C(=O)NNC(=O)C(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 3/20 0.41
NAAA Q02083 2/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ALPL P05186 1/20 0.38
APOBEC3G Q9HC16 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
SCHEMBL545347 0.82 LMNA (0.52) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL13912239 0.76 ALDH1A1 (0.67) ALDH1A1NPC1KDM4EHPGDLMNA
SCHEMBL924479 0.75 CA1 (0.57) ALDH1A1NPC1GAAKDM4EHTT
SCHEMBL924988 0.73 NPC1 (0.55) ALDH1A1NPC1GAAMAPTKDM4E
SCHEMBL2144996 0.73 NAAA (0.51) ALDH1A1NPC1GAAMAPTNPSR1
SCHEMBL24925442 0.71 GAA (0.67) ALDH1A1GAAKDM4ESMN1; SMN2LMNA
SCHEMBL8104116 0.71 GAA (0.55) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL10688938 0.71 LMNA (0.54) ALDH1A1NPC1GAAMAPTNPSR1
SCHEMBL12669773 0.71 LMNA (0.54) ALDH1A1NPC1GAAMAPTNPSR1
SCHEMBL12669776 0.71 LMNA (0.54) ALDH1A1NPC1GAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120171156-A1 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LTD. (GB) 2012-07-05 US claimed
EP-2442873-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES Hds Limited (GB) 2012-04-25 EP claimed
WO-2010146142-A9 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2011-06-16 WO claimed
WO-2010146142-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2010-12-23 WO claimed
EP-2617408-A2 Two phase face cleaner with high ocular and mucous membrane compatibility Henkel AG&Co. KGAA (DE) 2013-07-24 EP disclosed
US-8236744-B2 Composition with a color to indicate coverage COLGATE-PALMOLIVE COMPANY (US) 2012-08-07 US disclosed
US-20120171156-A1 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LTD. (GB) 2012-07-05 US disclosed
EP-2442873-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES Hds Limited (GB) 2012-04-25 EP disclosed
US-8067351-B2 Composition with a color marker COLGATE-PALMOLIVE COMPANY (US) 2011-11-29 US disclosed
US-20110182826-A1 Composition With A Color To Indicate Coverage COLGATE-PALMOLIVE COMPANY (US) 2011-07-28 US disclosed
WO-2010146142-A9 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2011-06-16 WO disclosed
US-20110021397-A1 Composition With A Color Marker COLGATE-PALMOLIVE COMPANY 2011-01-27 US disclosed
WO-2010146142-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2010-12-23 WO disclosed
US-20100143274-A1 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS CIBA CORPORATION (US) 2010-06-10 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-20100143274-A1 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS MAOA, MAOB, ACMSD ALDH1A1 464/4885NPC1 2036/4885GAA 999/4885

“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.