SCHEMBL18100313

SCHEMBL18100313

c1cc(C2=Nc3ccccc3CO2)cc(C2=Nc3ccccc3CO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL10654837 0.89 NPC1 (0.49) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL28574627 0.89 NPC1 (0.41) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL28137726 0.89 NPC1 (0.41) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL11907198 0.87 NPC1 (0.42) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL30129926 0.87 NPC1 (0.42) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL2106264 0.85 NOTUM (0.40) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL28138209 0.85 KDM4E (0.38) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL28579741 0.81 MAPT (0.36) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL28915334 0.79 NPC1 (0.42) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL28569090 0.79 MAPT (0.43) NPC1MAPTRAB9AALDH1A1LMNA

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-20160280851-A1 IMINOETHER COMPOUND, POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING CARBOXYLIC ACID ESTER, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2016-09-29 US disclosed
US-20160280851-A1 IMINOETHER COMPOUND, POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING CARBOXYLIC ACID ESTER, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2016-09-29 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-20160280851-A1 IMINOETHER COMPOUND, POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING CARBOXYLIC ACID ESTER, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE BRS3, RAD1, RAD51 NPC1 4411/4885MAPT 3599/4885RAB9A 1748/4885

“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.