SCHEMBL5609864

SCHEMBL5609864

Cc1cc(CCO)cc(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
ALOX5 P09917 1/20 0.37
BACE1 P56817 1/20 0.37
CA2 P00918 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SKP2 Q13309 1/20 0.35
LMNA P02545 1/20 0.33
SHBG P04278 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL5150574 0.86 TNKS2 (0.43) ALDH1A1TDP1TP53CYP3A4TSHR
SCHEMBL2153739 0.85 ALDH1A1 (0.55) ALDH1A1TDP1TP53CYP3A4TSHR
SCHEMBL5610270 0.85 CYP3A4 (0.41) ALDH1A1TDP1TP53CYP3A4TSHR
SCHEMBL21632919 0.81 ADRB2 (0.35) ALDH1A1TDP1TP53CYP3A4TSHR
SCHEMBL5610638 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TP53CYP3A4TSHR
SCHEMBL9026840 0.80 TDP1 (0.40) ALDH1A1TDP1KDM4EGAAMAPT
SCHEMBL8462396 0.78 PTGS1 (0.55) ALDH1A1TDP1KDM4EGAAMAPT
SCHEMBL1183199 0.78 ALDH1A1 (0.48) ALDH1A1TDP1TP53CYP3A4TSHR
SCHEMBL13984313 0.78 TAAR1 (0.50) ALDH1A1TDP1TP53CYP3A4TSHR
SCHEMBL5610285 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114977-A1 S1PR4 RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF TIAKI THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP 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 (4 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 28/4885TDP1 4444/4885TP53 3629/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885TDP1 4444/4885TP53 3629/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ALDH1A1 2128/4885TDP1 4798/4885TP53 3525/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ALDH1A1 2128/4885TDP1 4798/4885TP53 3525/4885

“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.