SCHEMBL517322

SCHEMBL517322

O=C(Nc1cccc2ccccc12)c1ccc(C2OCC3(CO2)COC(c2ccc(C(=O)Nc4cccc5ccccc45)cc2)OC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 6/20 0.54
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
MEN1 O00255 4/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
FABP7 O15540 2/20 0.47
ALOX5 P09917 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 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
SCHEMBL517354 0.80 MAOA (0.56) NPC1RAB9ACYP2C19KMT2AMEN1
SCHEMBL26885232 0.76 NPC1 (0.81) NPC1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL30184438 0.76 NPC1 (1.00) NPC1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL4642544 0.76 NPC1 (1.00) NPC1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL7539037 0.75 NPC1 (0.78) NPC1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL3659724 0.75 RAB9A (0.84) NPC1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL3679744 0.74 RAB9A (0.76) NPC1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL30735621 0.74 RAB9A (0.76) NPC1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL29124091 0.74 NPC1 (0.76) NPC1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL27447692 0.74 NPC1 (0.76) NPC1RAB9ACYP2C19CYP1A2CYP3A4

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 8 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
US-8592071-B2 Laminated porous film and separator for battery MITSUBISHI PLASTICS, INC. (JP) 2013-11-26 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
US-20110212358-A1 LAMINATED POROUS FILM AND SEPARATOR FOR BATTERY MITSUBISHI PLASTICS, INC. (JP) 2011-09-01 US 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 NPC1 2313/4885RAB9A 4496/4885CYP2C19 3570/4885

“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.