SCHEMBL9979241

SCHEMBL9979241

CCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
RAB9A P51151 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
FPR2 P25090 3/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CYP2C9 P11712 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
ESR1 P03372 1/20 0.30
NAAA Q02083 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL12032409 0.99 KDM1A (0.35) KDM1ARAB9AFFAR4FPR2GRIN1
SCHEMBL12032411 0.99 KDM1A (0.35) KDM1ARAB9AFFAR4FPR2GRIN1
SCHEMBL12032421 0.95 FFAR4 (0.39) KDM1AFFAR4
SCHEMBL6456202 0.94 KDM1A (0.33) KDM1ARAB9AFFAR4FPR2GRIN1
SCHEMBL6456207 0.94 KDM1A (0.33) KDM1ARAB9AFFAR4FPR2GRIN1
SCHEMBL2604711 0.93 CYP2C9 (0.37) KDM1ARAB9AFFAR4FPR2GRIN1
SCHEMBL12032423 0.91 FFAR4 (0.39) KDM1ARAB9AFFAR4MEN1KMT2A
SCHEMBL6459858 0.91 KDM1A (0.33) KDM1ARAB9AFFAR4FPR2MAPT
SCHEMBL6459855 0.91 KDM1A (0.33) KDM1ARAB9AFFAR4FPR2MAPT
SCHEMBL2604706 0.90 CYP2C9 (0.36) KDM1AFFAR4FPR2GRIN1GRIN2B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999197-B2 Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-8999197-B2 Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-8999197-B2 Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-20140054499-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-27 US disclosed
US-20140054499-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-27 US disclosed
US-20140054499-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-27 US disclosed
US-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-22 US disclosed
US-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-22 US disclosed
US-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-22 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-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CTNND1, HCN1, CTNNA1 KDM1A 1823/4885RAB9A 1420/4885FFAR4 3140/4885

“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.