SCHEMBL6705087

SCHEMBL6705087

CC(Cc1ccc(OC(C)c2nc3ccc(O)cc3[nH]2)cc1)C(N)=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
PLAU P00749 1/20 0.39
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 3/20 0.36
SCN10A Q9Y5Y9 4/20 0.35
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 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
SCHEMBL6702480 0.92 GRIN1 (0.43) ALDH1A1ALOX15MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6702785 0.91 GRIN1 (0.43) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6703177 0.89 CYP2E1 (0.46) ALDH1A1ALOX15MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6703915 0.87 MEN1 (0.43) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6700738 0.81 GRIN1 (0.44) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6703326 0.81 CYP2E1 (0.46) ALDH1A1ALOX15MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6697811 0.80 CYP2E1 (0.45) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6702421 0.80 GRIN1 (0.41) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6705176 0.78 ALDH1A1 (0.40) ALDH1A1ALOX15MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6700237 0.78 ALDH1A1 (0.39) ALDH1A1ALOX15MEN1KMT2AHTT

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
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (2 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885ALOX15 806/4885MEN1 3577/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885ALOX15 806/4885MEN1 3577/4885

“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.