SCHEMBL12734532

SCHEMBL12734532

CCCCCOc1ccc(-c2ccc(/C=C/c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.36
▸ S1PR1 P21453 3/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ AHR P35869 1/20 0.34
▸ PTPN11 Q06124 3/20 0.34
▸ THRA P10827 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ MCL1 Q07820 1/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.31
▸ RARB P10826 1/20 0.31
▸ MAOA P21397 2/20 0.30
▸ MAOB P27338 2/20 0.30

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
SCHEMBL12734543 0.99 HDAC8 (0.36) HDAC8S1PR1S1PR3AHRPTPN11
SCHEMBL12734538 0.99 HDAC8 (0.36) HDAC8S1PR1S1PR3AHRPTPN11
SCHEMBL12734540 0.99 HDAC8 (0.36) HDAC8S1PR1S1PR3AHRPTPN11
SCHEMBL12734528 0.98 AHR (0.35) HDAC8S1PR1S1PR3AHRPTPN11
SCHEMBL12739477 0.93 HDAC8 (0.36) HDAC8S1PR1S1PR3AHRPTPN11
SCHEMBL12739483 0.92 HDAC8 (0.36) HDAC8AHRPTPN11THRATHRB
SCHEMBL12739481 0.92 HDAC8 (0.36) HDAC8AHRPTPN11THRATHRB
SCHEMBL12739480 0.92 HDAC8 (0.36) HDAC8AHRPTPN11THRATHRB
SCHEMBL12739475 0.91 AHR (0.35) HDAC8S1PR1S1PR3AHRPTPN11
SCHEMBL12734525 0.91 HMOX1 (0.35) AHRTHRB

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 HDAC8 4142/4885S1PR1 1190/4885S1PR3 757/4885

“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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