SCHEMBL3039448

SCHEMBL3039448

COc1ccc(COC(=O)Nc2ccc(OC)c(O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MIF P14174 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
NLRP3 Q96P20 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46

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
SCHEMBL3038608 0.88 MGLL (0.58) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL3043741 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2RAB9ALMNAPOLB
SCHEMBL3034797 0.84 MIF (0.60) ALDH1A1MIFSMN1; SMN2NPC1TP53
SCHEMBL4285692 0.81 RAB9A (0.51) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL10494904 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL3043779 0.80 ALDH1A1 (0.54) ALDH1A1MIFSMN1; SMN2NPC1RAB9A
SCHEMBL7284429 0.79 TUBB4A (0.59) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL10926626 0.78 ALDH1A1 (0.53) ALDH1A1MIFSMN1; SMN2NPC1RAB9A
SCHEMBL11813314 0.78 TP53 (0.68) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL1223807 0.78 RAB9A (0.67) ALDH1A1SMN1; SMN2NPC1TP53RAB9A

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 ALDH1A1 837/4885MIF 3316/4885SMN1; SMN2 1999/4885
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, NR3C2 ALDH1A1 2254/4885MIF 3992/4885SMN1; SMN2 2796/4885

“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.