SCHEMBL12823501

SCHEMBL12823501

COc1ccc(C2CCC(OC(=O)c3ccc(C4CCC(OC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.42
▸ PDE4B Q07343 4/20 0.38
▸ PDE4A P27815 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ PIN1 Q13526 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ MGLL Q99685 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ QDPR P09417 1/20 0.33

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
SCHEMBL12823119 0.91 KDM1A (0.40) NAAAPDE4BPDE4APDE4CPDE4D
SCHEMBL12737634 0.90 NAAA (0.39) NAAAPDE4BPDE4APDE4CPDE4D
SCHEMBL12737643 0.90 NAAA (0.39) NAAAPDE4BPDE4APDE4CPDE4D
SCHEMBL12823914 0.89 NAAA (0.38) NAAAPIN1MEN1KMT2APDE5A
SCHEMBL12823449 0.89 NAAA (0.38) NAAAPIN1MEN1KMT2APDE5A
SCHEMBL12716171 0.87 KDM1A (0.47) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL12737635 0.86 NAAA (0.37) NAAAPDE4BPDE4APDE4CPDE4D
SCHEMBL13586393 0.86 TP53 (0.33) TP53
SCHEMBL12823873 0.84 HTT (0.46) NAAAPDE4BPDE4APDE4CPDE4D
SCHEMBL13586407 0.84 MAPK1 (0.34) MAPK1TP53

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-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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 NAAA 3997/4885PDE4B 2984/4885PDE4A 3366/4885

“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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