SCHEMBL5113795

SCHEMBL5113795

CCOC(=O)CCc1cc(O)nn1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 6/20 0.38
PDE7A Q13946 2/20 0.38
TSHR P16473 1/20 0.38
HSD11B1 P28845 2/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
TBXAS1 P24557 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 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
SCHEMBL5108956 0.76 LMNA (0.48) HRH3ALDH1A1TSHRLMNACYP4F2
SCHEMBL5120004 0.75 CYP4F2 (0.42) ALDH1A1TSHRLMNATBXAS1CYP4F2
SCHEMBL5106638 0.73 CYP4F2 (0.40) ALDH1A1TSHRLMNACYP4F2CYP4A11
SCHEMBL5111929 0.71 KMT2A (0.54) ALDH1A1TSHRLMNACYP4F2CYP4A11
SCHEMBL5120409 0.71 CYP4F2 (0.38) ALDH1A1TSHRLMNACYP4F2CYP4A11
SCHEMBL18939629 0.71 KMT2A (0.42) ALDH1A1PDE7ATSHRMAPK1LMNA
SCHEMBL5285406 0.70 CNR1 (0.48) ALDH1A1POLB
SCHEMBL20944278 0.70 KMT2A (0.40) ALDH1A1PDE7AMAPK1KMT2APOLB
SCHEMBL14653691 0.69 CPB2 (0.46) HRH3ALDH1A1TSHRTBXAS1CYP4F2
SCHEMBL5119177 0.68 ALDH1A1 (0.49) ALDH1A1MAPK1LMNACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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 (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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 HRH3 1083/4885ALDH1A1 1442/4885PDE7A 2819/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 HRH3 637/4885ALDH1A1 1527/4885PDE7A 4429/4885

“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.