SCHEMBL17754346

SCHEMBL17754346

C=CC(=O)COc1ccc(C(=O)OCCc2ccc(OC(=O)c3ccc(OCC(=O)C=C)cc3)c(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
ACACB O00763 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
FFAR1 O14842 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
TYR P14679 1/20 0.34

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
SCHEMBL17754293 0.87 MAPT (0.40) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL15582413 0.86 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MAPTACACB
SCHEMBL17754279 0.86 MAPT (0.40) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL17754344 0.85 MAPT (0.49) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL17754294 0.85 MAPT (0.49) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL13310805 0.82 ESR1 (0.40) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL17754347 0.82 MAPT (0.50) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL15582426 0.81 KMT2A (0.41) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL17754278 0.81 MAPT (0.43) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL19342373 0.79 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MAPTACACB

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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 NPC1 2708/4885RAB9A 3948/4885SMN1; SMN2 3198/4885

“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.