SCHEMBL3497365

SCHEMBL3497365

CCCC1CCC(c2c(F)c(F)c(-c3ccccc3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

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
▸ DHFR P00374 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ FABP4 P15090 1/20 0.31
▸ OPRM1 P35372 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
SCHEMBL10382631 0.83 MAPT (0.36) RAB9ACYP2C9MEN1MAPK1KMT2A
SCHEMBL17356621 0.82 CYP2C9 (0.35) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL4818957 0.80 OPRL1 (0.41) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL17356596 0.80 SLC6A3 (0.38) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL9949347 0.79 KDM4E (0.38) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL29935072 0.79 KDM4E (0.39) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL9055883 0.79 KDM4E (0.39) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL9493979 0.78 KDM4E (0.36) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL9166203 0.78 KDM4E (0.36) KDM4ERAB9AL3MBTL1CYP2C9MEN1
SCHEMBL9493973 0.78 KDM4E (0.36) 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
EP-2123623-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-08-07 — — EP disclosed
US-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2010-03-25 — — US disclosed
EP-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 — — EP 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-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT TRPV4, TRPV5, ZKSCAN2 KDM4E 2554/4885RAB9A 2684/4885L3MBTL1 1820/4885

“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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