SCHEMBL12738874

SCHEMBL12738874

CCCCCc1ccc(-c2ccc(CCc3ccc(-c4ncc(CCC)cn4)c(F)c3F)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 11/20 0.41
▸ RARA P10276 3/20 0.41
▸ RARG P13631 1/20 0.41
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 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
SCHEMBL12738869 0.91 RARB (0.37) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL12718404 0.90 RAB9A (0.38) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL12735630 0.88 RARB (0.46) RARBRARARARGMAPTHSD17B10
SCHEMBL12738805 0.87 RAB9A (0.38) RARBRAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL12738876 0.86 CYP17A1 (0.42) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL12738872 0.85 SMN1; SMN2 (0.46) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL12738881 0.84 NAAA (0.37) RAB9ASMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL12735631 0.84 RARB (0.41) RARBRARARARG
SCHEMBL10301942 0.84 RARB (0.51) RARBRARARARGMAPTHSD17B10
SCHEMBL10301996 0.82 RARB (0.44) RARBRARARARGMAPTMEN1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 RARB 2705/4885RARA 2089/4885RARG 3220/4885

“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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