SCHEMBL12733641

SCHEMBL12733641

C=CCCOc1ccc(C2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
SCN9A Q15858 2/20 0.31
LNPEP Q9UIQ6 1/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 2/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR2A P28223 1/20 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
SCHEMBL30093781 0.96 KDM4E (0.34) KDM4EALDH1A1MAPK1SCN9A
SCHEMBL12140874 0.96 KDM4E (0.34) KDM4EALDH1A1MAPK1SCN9A
SCHEMBL19985585 0.95 KDM4E (0.34) KDM4EALDH1A1MAPK1
SCHEMBL12733654 0.95 KDM4E (0.38) KDM4EALDH1A1MAPK1SCN9AHTR2C
SCHEMBL12740631 0.93 SCN9A (0.40) KDM4ESCN9AHTR2CHTR2BHTR2A
SCHEMBL12735802 0.93 SCN9A (0.40) KDM4ESCN9AHTR2CHTR2BHTR2A
SCHEMBL23968127 0.91 KDM4E (0.36) KDM4EALDH1A1MAPK1
SCHEMBL12740220 0.89 KDM4E (0.31) KDM4EHTR1A
SCHEMBL12736618 0.89 KDM4E (0.31) KDM4EHTR1A
SCHEMBL14765673 0.88 GABRA1 (0.33) KDM4ESCN9AHTR2CHTR2B

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 KDM4E 2690/4885ALDH1A1 1480/4885MAPK1 529/4885

“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.