SCHEMBL12223382

SCHEMBL12223382

CCOc1ccc(C2CCC(C3CCC(OC(=O)C4CCC(c5ccc(C(O)CC)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ SSTR5 P35346 1/20 0.31
▸ ACACB O00763 2/20 0.31
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ IDO1 P14902 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
SCHEMBL12224688 1.00 SMN1; SMN2 (0.34) SMN1; SMN2HPGDGLASSTR5ACACB
SCHEMBL12224656 0.93 SMN1; SMN2 (0.34) SMN1; SMN2HPGDGLASSTR5ACACB
SCHEMBL12223965 0.92 SMN1; SMN2 (0.33) SMN1; SMN2HPGDGLAACACB
SCHEMBL12224065 0.91 SMN1; SMN2 (0.35) SMN1; SMN2HPGDGLASSTR5ACACB
SCHEMBL14922631 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HPGDGLASSTR5ACACB
SCHEMBL14922394 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HPGDGLASSTR5ACACB
SCHEMBL10091424 0.89 SMN1; SMN2 (0.35) SMN1; SMN2HPGDGLAACACBMAPT
SCHEMBL12222988 0.88 HPGD (0.40) SMN1; SMN2HPGDGLASSTR5ACACB
SCHEMBL12224042 0.88 SSTR5 (0.32) SMN1; SMN2SSTR5PTGS1PTGS2
SCHEMBL14922689 0.86 SMN1; SMN2 (0.36) SMN1; SMN2HPGDGLAMAPTHTT

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 3764/4885HPGD 4261/4885GLA 3232/4885

“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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