SCHEMBL518121

SCHEMBL518121

CC(C)(C)C1CCC(NC(=O)c2ccc(C3OCC4(CO3)COC(c3ccc(C(=O)NC5CCC(C(C)(C)C)CC5C(C)(C)C)cc3)OC4)cc2)C(C(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 2/20 0.38
MLYCD O95822 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA7 P36544 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SSTR3 P32745 1/20 0.33
PANK3 Q9H999 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL517294 0.84 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TRPV1MEN1
SCHEMBL9979043 0.76 TAS1R3 (0.40) TRPV1MLYCDMEN1KMT2ACYP3A4
SCHEMBL556871 0.74 RAB9A (0.56) NPC1RAB9AMLYCDMEN1KMT2A
SCHEMBL517511 0.72 MAOA (0.57) NPC1RAB9ASMN1; SMN2CYP2C19KMT2A
SCHEMBL516983 0.69 HDAC3 (0.56) NPC1RAB9ASMN1; SMN2TRPV1MEN1
SCHEMBL9979374 0.68 TAS1R3 (0.49) TRPV1MLYCDALDH1A1
SCHEMBL517307 0.66 CNR2 (0.61) RAB9AMEN1KMT2AHTTALDH1A1
SCHEMBL8178904 0.66 MEN1 (0.60) NPC1RAB9ASMN1; SMN2MEN1CYP2C19
SCHEMBL555886 0.66 CYP2C9 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL517354 0.66 MAOA (0.56) NPC1RAB9AMEN1CYP2C19KMT2A

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 4496/4885SMN1; 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.