SCHEMBL18477455

SCHEMBL18477455

Cc1ccc(C(=O)OCC2COCCOCCOCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
L3MBTL1 Q9Y468 4/20 0.43
NPC1 O15118 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 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
SCHEMBL1372937 0.87 RAB9A (0.48) RAB9AL3MBTL1NPC1TDP1ALDH1A1
SCHEMBL13385709 0.80 PPARG (0.37) L3MBTL1NPC1ALDH1A1LMNAMAPT
SCHEMBL38933 0.79 MGLL (0.47) NPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL22357194 0.79 MGLL (0.47) NPC1ALDH1A1SMN1; SMN2LMNA
Dioxane SCHEMBL11840291 0.78 PPARG (0.41) RAB9AL3MBTL1NPC1TDP1
Water SCHEMBL28237529 0.77 MGLL (0.46) NPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL27538597 0.77 MGLL (0.46) NPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1426691 0.77 ALDH1A1 (0.46) RAB9AL3MBTL1NPC1ALDH1A1SMN1; SMN2
SCHEMBL15500021 0.77 KMT2A (0.57) RAB9AL3MBTL1NPC1ALDH1A1SMN1; SMN2
Oxirane SCHEMBL6474718 0.76 CA2 (0.61) RAB9ANPC1TDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170040543-A1 ORGANIC SOLAR CELL AND MANUFACTURING METHOD THEREFOR LG CHEM, LTD. (KR) 2017-02-09 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-20170040543-A1 ORGANIC SOLAR CELL AND MANUFACTURING METHOD THEREFOR ORMDL3, OR51E2, STOM RAB9A 1302/4885L3MBTL1 3197/4885NPC1 1191/4885

“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.