SCHEMBL9949347

SCHEMBL9949347

CCCC1CCC(c2c(F)cc(-c3ccccc3)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ OPRL1 P41146 6/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL29266752 0.92 KDM4E (0.34) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL29186355 0.83 OPRL1 (0.43) KDM4ERAB9AL3MBTL1CYP2C9OPRL1
SCHEMBL30767887 0.83 OPRL1 (0.43) KDM4ERAB9AL3MBTL1CYP2C9OPRL1
SCHEMBL4818957 0.80 OPRL1 (0.41) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL3497365 0.79 KDM4E (0.38) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL29935072 0.79 KDM4E (0.39) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL9055883 0.79 KDM4E (0.39) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL20118299 0.79 CYP2C9 (0.45) RAB9ACYP2C9MEN1MAPK1KMT2A
SCHEMBL29266750 0.77 ABCB1 (0.40) L3MBTL1ALDH1A1MAPTFFAR4AKR1C2
SCHEMBL17075718 0.77 OPRL1 (0.46) KDM4ERAB9AL3MBTL1CYP2C9MEN1

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
CN-102557866-B Liquid crystal compound, liquid crystal composition, and liquid crystal display and electro-optical device comprising the same IND TECH RES INST 2014-09-10 — — CN disclosed
US-8460766-B2 Liquid crystal compounds and compositions and liquid crystal displays and photoelectric devices comprising the compounds and compositions INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-06-11 — — US disclosed
US-20120164355-A1 LIQUID CRYSTAL COMPOUNDS AND COMPOSITIONS AND LIQUID CRYSTAL DISPLAYS AND PHOTOELECTRIC DEVICES COMPRISING THE COMPOUNDS AND COMPOSITIONS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-06-28 — — 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-20120164355-A1 LIQUID CRYSTAL COMPOUNDS AND COMPOSITIONS AND LIQUID CRYSTAL DISPLAYS AND PHOTOELECTRIC DEVICES COMPRISING THE COMPOUNDS AND COMPOSITIONS SCO2, CRY2, POU2F2 KDM4E 3620/4885RAB9A 2889/4885L3MBTL1 295/4885

“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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