SCHEMBL17880833

SCHEMBL17880833

CCC(C)OC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCOC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.44
CASP1 P29466 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MCL1 Q07820 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40

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
SCHEMBL17880837 0.91 KLK7 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL25917537 0.84 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL9127332 0.83 MAPT (0.46) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL27101167 0.83 SAE1 (0.49) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL11119637 0.83 SAE1 (0.49) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL17346687 0.83 MAPT (0.51) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL19262238 0.82 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL12034945 0.81 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13073361 0.80 RAB9A (0.56) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL25917536 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737607-B2 Polymer, and pharmaceutical composition employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-08-22 US disclosed
US-20160184437-A1 Polymer, and pharmaceutical composition employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-06-30 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-20160184437-A1 Polymer, and pharmaceutical composition employing the same PUF60, PARG, F12 NPC1 3903/4885RAB9A 2264/4885SMN1; SMN2 2800/4885

“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.