SCHEMBL18747656

SCHEMBL18747656

CCCCCc1cnc(-c2ccc(C#CC(C)(C)O)c(F)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.46
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
NPC1 O15118 4/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
STAT3 P40763 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL5352070 0.81 RARB (0.49) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL18747723 0.81 RARB (0.49) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7910419 0.80 RARB (0.51) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10556266 0.80 RARB (0.51) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10555324 0.80 RARB (0.51) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10554640 0.80 RARB (0.51) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL5352630 0.80 RARB (0.51) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7516234 0.78 RARB (0.56) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10349594 0.77 CYP11B1 (0.49) RARB
SCHEMBL10733402 0.77 RARB (0.58) RARBRAB9ASMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3156388-B1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLANE BACKBONE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-01-30 EP disclosed
US-9879183-B2 Liquid crystal compound having CF2O bonding group and tolan skeleton, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
US-9879183-B2 Liquid crystal compound having CF2O bonding group and tolan skeleton, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-04-20 US disclosed
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-04-20 US disclosed
EP-3156388-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLANE BACKBONE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-04-19 EP 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-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, TLN1, TCOF1 RARB 4443/4885RAB9A 947/4885SMN1; SMN2 3936/4885

“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.