SCHEMBL12433704

SCHEMBL12433704

CCCCCc1ccc(-c2ccc(CCc3c(C)cc(OCC)c(F)c3F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.42
RARA P10276 2/20 0.42
RARG P13631 1/20 0.42
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MTOR P42345 1/20 0.39
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HSD11B1 P28845 1/20 0.37
ESR1 P03372 2/20 0.36

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
SCHEMBL12433590 0.96 ESR1 (0.38) RARBRARARARGMAPTRAB9A
SCHEMBL12433820 0.92 RARB (0.42) RARBRARARARGMAPTRAB9A
SCHEMBL12433563 0.91 GABRA1 (0.36) MAPTRAB9AL3MBTL1HSD17B10MEN1
SCHEMBL13980227 0.88 ENPP3 (0.36) MAPTL3MBTL1HSD17B10MEN1ALDH1A1
SCHEMBL12433601 0.86 LMNA (0.36) MAPTHSD17B10MEN1KMT2AKDM4E
SCHEMBL12433647 0.84 FAAH (0.39) RARBRARARARGHSD17B10ALDH1A1
SCHEMBL12433717 0.82 GABRA1 (0.35) MAPTL3MBTL1HSD17B10MEN1ALDH1A1
SCHEMBL12433840 0.79 RXRA (0.40) ESR1PTGS1PTGS2
SCHEMBL12433685 0.79 RARB (0.45) RARBRARARARGMAPTHSD17B10
SCHEMBL12433617 0.79 CALM1 (0.39) MAPTMEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 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-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 RARB 1782/4885RARA 1946/4885RARG 2840/4885

“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.