SCHEMBL12740941

SCHEMBL12740941

CCCCCc1ccc(-c2ccc(-c3ccc(COc4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.43
SMPD1 P17405 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
HSD17B10 Q99714 3/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL12736486 1.00 RARB (0.43) RARBSMPD1MAPTRAB9AL3MBTL1
SCHEMBL8615249 0.95 RARB (0.47) RARBMAPTRAB9AL3MBTL1FFAR4
SCHEMBL8972213 0.93 RARB (0.46) RARBMAPTRAB9AL3MBTL1FFAR4
SCHEMBL9493395 0.93 RARB (0.46) RARBMAPTRAB9AL3MBTL1FFAR4
SCHEMBL9485582 0.93 RARB (0.46) RARBMAPTRAB9AL3MBTL1FFAR4
SCHEMBL12736482 0.92 SMPD1 (0.47) RARBSMPD1FFAR4HSD17B10ESR1
SCHEMBL12740936 0.92 SMPD1 (0.47) RARBSMPD1FFAR4HSD17B10ESR1
SCHEMBL9563711 0.92 RARB (0.48) RARBMAPTRAB9AL3MBTL1HSD17B10
SCHEMBL9563828 0.92 RARB (0.48) RARBMAPTRAB9AL3MBTL1HSD17B10
SCHEMBL9494400 0.92 RARB (0.48) RARBMAPTRAB9AL3MBTL1HSD17B10

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 2705/4885SMPD1 4718/4885MAPT 1075/4885

“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.