SCHEMBL9980788

SCHEMBL9980788

Nc1ccc(C(=O)OCCOC(=O)CCC(C(=O)O)n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.39
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 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
SCHEMBL9980787 1.00 NPC1 (0.49) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL12027039 0.89 NPC1 (0.41) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL12027098 0.89 NPC1 (0.41) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL9980811 0.89 RAB9A (0.51) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL9980820 0.89 RAB9A (0.51) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL15107105 0.85 DNM1 (0.38) NPC1RAB9AFNTAFNTBESR1
SCHEMBL12027035 0.78 GAA (0.45) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL12027097 0.78 GAA (0.45) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL9980737 0.76 ELANE (0.44) RAB9AMAPTALDH1A1MEN1HPGD
SCHEMBL9980739 0.76 ELANE (0.44) RAB9AMAPTALDH1A1MEN1HPGD

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-8486534-B2 Surface-modified polymer films BAR-ILAN UNIVERSITY (IL) 2013-07-16 US disclosed
US-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS BAR-ILAN UNIVERSITY (IL) 2011-12-15 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-20110306722-A1 SURFACE-MODIFIED POLYMER FILMS PARN, ITGAM, PARG NPC1 4360/4885RAB9A 3562/4885LMNA 1592/4885

“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.