SCHEMBL12224658

SCHEMBL12224658

CCCC(O)c1ccc(C2CCC(OC(=O)C3CCC(c4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACACB O00763 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ GLA P06280 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
SCHEMBL10091424 0.96 SMN1; SMN2 (0.35) SMN1; SMN2ACACBHPGDMAPTGLA
SCHEMBL12223965 0.94 SMN1; SMN2 (0.33) SMN1; SMN2ACACBHPGDGLA
SCHEMBL12224656 0.93 SMN1; SMN2 (0.34) SMN1; SMN2ACACBHPGDMAPTPTGS1
SCHEMBL11939136 0.92 HPGD (0.37) SMN1; SMN2ACACBHPGDALOX5APFEN1
SCHEMBL11939255 0.92 HPGD (0.37) SMN1; SMN2ACACBHPGDALOX5APFEN1
SCHEMBL12223568 0.91 TYR (0.31) —
SCHEMBL12222963 0.91 TYR (0.31) —
SCHEMBL12222960 0.90 SMN1; SMN2 (0.34) SMN1; SMN2ACACBHPGDMAPTPTGS1
SCHEMBL14922583 0.89 SMN1; SMN2 (0.39) SMN1; SMN2ACACBHPGDMAPTPTGS1
SCHEMBL14922599 0.89 SMN1; SMN2 (0.39) SMN1; SMN2ACACBHPGDMAPTPTGS1

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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 SMN1; SMN2 3764/4885ACACB 2691/4885HPGD 4261/4885

“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.

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