SCHEMBL3034797

SCHEMBL3034797

COc1ccc(COC(=O)Nc2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.60
ALDH1A1 P00352 3/20 0.58
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
LMNA P02545 3/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TP53 P04637 2/20 0.52
MMP1 P03956 1/20 0.52

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
SCHEMBL11813314 0.88 TP53 (0.68) ALDH1A1LMNAPOLBSMN1; SMN2NPC1
SCHEMBL1223807 0.88 RAB9A (0.67) ALDH1A1LMNAPOLBSMN1; SMN2NPC1
SCHEMBL8867363 0.87 ALDH1A1 (0.55) ALDH1A1SAE1UBA2LMNAPOLB
SCHEMBL8867357 0.87 ALDH1A1 (0.55) ALDH1A1SAE1UBA2LMNAPOLB
SCHEMBL11235640 0.85 ALDH1A1 (0.56) MIFALDH1A1SAE1UBA2LMNA
SCHEMBL6743384 0.84 MAPT (0.62) ALDH1A1LMNAPOLBSMN1; SMN2NPC1
SCHEMBL25304122 0.84 ALDH1A1 (0.73) ALDH1A1LMNAPOLBSMN1; SMN2L3MBTL1
SCHEMBL31043917 0.84 MAPT (0.61) ALDH1A1SAE1UBA2LMNAPOLB
SCHEMBL3039448 0.84 ALDH1A1 (0.51) MIFALDH1A1SAE1UBA2LMNA
SCHEMBL3044373 0.82 POLB (0.57) MIFALDH1A1LMNAPOLBSMN1; SMN2

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
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-05-12 US disclosed
EP-0958280-B1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6838470-B2 Arylpiperidinopropanol and arylpiprazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-04 US disclosed
EP-1138678-B1 Process for making N-((4-phenyl) methylphenyl) piperazines DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-12-22 EP disclosed
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-12-25 US disclosed
US-6525199-B1 Ring coupling, reduction and deprotecting; synthesis of compounds for alleviation and treatment of symptoms due to ischemic diseases SUNTORY LIMITED (JP) 2003-02-25 US disclosed
US-6407099-B1 SUPPRESSING CYTOTOXIC CALCIUM OVERLOAD AND LIPID PEROXIDATION; ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIEDEMIC AGENTS; BRAIN, NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 2002-06-18 US disclosed
EP-1138678-A2 Process for making N-((4-phenyl) methylphenyl) piperazines SUNTORY LIMITED (JP) 2001-10-04 EP disclosed
EP-0958280-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-11-24 EP disclosed
WO-1999023072-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-05-14 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-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, APOL1 MIF 3316/4885ALDH1A1 837/4885SAE1 3739/4885
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, NR3C2 MIF 3992/4885ALDH1A1 2254/4885SAE1 4535/4885

“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.