SCHEMBL12739475

SCHEMBL12739475

CCCCOc1ccc(/C=C/c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.35
▸ HDAC8 Q9BY41 3/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ KCNA3 P22001 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ TLR4 O00206 1/20 0.31
▸ TLR2 O60603 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31

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
SCHEMBL12739477 0.98 HDAC8 (0.36) AHRHDAC8CYP1A1CYP1A2CYP1B1
SCHEMBL12739483 0.97 HDAC8 (0.36) AHRHDAC8CYP1A1CYP1A2CYP1B1
SCHEMBL12739480 0.97 HDAC8 (0.36) AHRHDAC8CYP1A1CYP1A2CYP1B1
SCHEMBL12739481 0.97 HDAC8 (0.36) AHRHDAC8CYP1A1CYP1A2CYP1B1
SCHEMBL12734528 0.93 AHR (0.35) AHRHDAC8KCNA3CRBNS1PR1
SCHEMBL12739472 0.93 CYP1A1 (0.35) AHRCYP1A1CYP1A2CYP1B1FFAR1
SCHEMBL12739488 0.91 CYP1A1 (0.32) CYP1A1CYP1A2CYP1B1
SCHEMBL12734532 0.91 HDAC8 (0.36) AHRHDAC8CRBNS1PR1S1PR3
SCHEMBL14767175 0.91 AHR (0.34) AHRHDAC8CYP1A1CYP1A2CYP1B1
SCHEMBL14766531 0.90 AHR (0.34) AHRHDAC8CYP1A1CYP1A2CYP1B1

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 AHR 1226/4885HDAC8 4142/4885CYP1A1 857/4885

“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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