SCHEMBL12032016

SCHEMBL12032016

CCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)c(F)c3)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 7/20 0.36
KDM1A O60341 4/20 0.36
PDE2A O00408 3/20 0.34
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 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
SCHEMBL12032235 1.00 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6460883 0.95 EPHX2 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6460879 0.95 EPHX2 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8771358 0.95 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL3437359 0.95 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8110570 0.95 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6460322 0.93 KDM1A (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6460328 0.93 KDM1A (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12031949 0.91 EPHX2 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5686413 0.90 MEN1 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1

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 6 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-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

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 CYP2C9 2588/4885ALDH1A1 884/4885LMNA 734/4885

“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.