SCHEMBL517294

SCHEMBL517294

CC(C)(C)C1CCC(NC(=O)c2ccc(C3OCC4(CO3)COC(c3ccc(C(=O)NC5CCC(C(C)(C)C)CC5)cc3)OC4)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
HPGDS O60760 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
EPHX1 P07099 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL518121 0.84 NPC1 (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL517511 0.83 MAOA (0.57) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL14117679 0.76 SMYD3 (0.51) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12424510 0.76 MEN1 (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL14263473 0.76 MEN1 (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL2455994 0.74 EPHX1 (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12384673 0.73 MAPT (0.57) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL556871 0.73 RAB9A (0.56) RAB9ANPC1KMT2AMEN1HPGD
SCHEMBL516983 0.72 HDAC3 (0.56) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL13988670 0.72 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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 RAB9A 4496/4885NPC1 2313/4885SMN1; SMN2 3244/4885

“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.