SCHEMBL517287

SCHEMBL517287

O=C(c1ccc(C2OCC3(CO2)COC(c2ccc(C(=O)N(c4ccccc4)c4ccccc4)cc2)OC3)cc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNA4 P22459 1/20 0.41
KCNA1 Q09470 1/20 0.41
KCNAB1 Q14722 1/20 0.41
MAOA P21397 1/20 0.41
MAPK1 P28482 1/20 0.40
NR3C2 P08235 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CHRM4 P08173 1/20 0.35
CHRM3 P20309 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL517387 0.79 ALDH1A1 (0.55) MEN1CYP2C19KMT2ASMN1; SMN2NPC1
SCHEMBL8178904 0.78 MEN1 (0.60) MEN1CYP2C19KMT2ASMN1; SMN2NPC1
SCHEMBL9001693 0.76 NPSR1 (0.61) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL517354 0.74 MAOA (0.56) MEN1CYP2C19KMT2ANPC1RAB9A
SCHEMBL764123 0.74 CYP2C19 (1.00) MEN1CYP2C19KMT2ASMN1; SMN2NPC1
SCHEMBL517281 0.73 KMT2A (0.53) MEN1CYP2C19KMT2ASMN1; SMN2NPC1
SCHEMBL517308 0.73 LMNA (0.54) MEN1CYP2C19KMT2ASMN1; SMN2NPC1
SCHEMBL9001714 0.72 NR3C2 (0.62) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1003807 0.72 NPSR1 (0.61) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2114814 0.69 ESR1 (0.66) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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
EP-2392458-B1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEM CO LTD (JP) 2018-03-14 EP disclosed
US-9023921-B2 Method for inhibiting crystal growth rate of amide compound and method for producing molded article of polyolefin-based resin NEW JAPAN CHEMICAL CO., LTD. (JP) 2015-05-05 US disclosed
EP-2431415-A1 METHOD FOR CONTROLLING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN New Japan Chemical Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120035304-A1 METHOD FOR INHIBITING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-09 US disclosed
US-20120028006-A1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
EP-2392458-A2 POLYPROPYLENE RESIN MOLDED ARTICLE New Japan Chemical Co., Ltd. (JP) 2011-12-07 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 (1 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-20120035304-A1 METHOD FOR INHIBITING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN MNAT1, RFT1, RTF1 MEN1 1900/4885CYP2C19 3570/4885KMT2A 481/4885

“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.