SCHEMBL9015837

SCHEMBL9015837

CCCC1CCC(c2ccc(-c3ccc(-c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
OPRL1 P41146 13/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5AP P20292 3/20 0.31
FEN1 P39748 3/20 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
SCHEMBL9019410 0.96 CYP2C9 (0.32) CYP2C9OPRL1KDM4ERAB9AL3MBTL1
SCHEMBL12836498 0.94 CYP2C9 (0.35) CYP2C9OPRL1KDM4ERAB9AL3MBTL1
SCHEMBL10051627 0.93 CYP2C9 (0.42) CYP2C9KDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL2606424 0.93 CYP2C9 (0.42) CYP2C9KDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL12821240 0.91 CYP2C9 (0.38) CYP2C9OPRL1KDM4ERAB9AL3MBTL1
SCHEMBL2606306 0.91 CYP2C9 (0.38) CYP2C9OPRL1KDM4ERAB9AL3MBTL1
SCHEMBL13668884 0.91 OPRL1 (0.38) OPRL1
SCHEMBL9020647 0.90 ALDH1A1 (0.34) ALDH1A1MAPTMAPK1ALOX5APFEN1
SCHEMBL12821262 0.89 CHKA (0.31)
SCHEMBL12823396 0.89 CHKA (0.31)

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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 CYP2C9 2391/4885OPRL1 2818/4885KDM4E 1068/4885

“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.