SCHEMBL12376010

SCHEMBL12376010

CCCC1CCC(C2Cc3ccc(C4CCC(CC)CC4)c(F)c3C(=O)O2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
OPRL1 P41146 2/20 0.30
HTT P42858 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
SCHEMBL12622304 0.99 CYP2C9 (0.32) CYP2C9KDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL12376116 0.92 CES2 (0.35) CYP2C9RAB9AMAPT
SCHEMBL12376042 0.87 MAOA (0.36) CYP2C9ALDH1A1MAPTLMNAOPRL1
SCHEMBL12376031 0.87 CYP2C9 (0.32) CYP2C9ALDH1A1MAPTLMNAOPRL1
SCHEMBL12375875 0.85 MAOA (0.38) CYP2C9KDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL12376109 0.85 CYP2C9 (0.37) CYP2C9KDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL12376118 0.85 SPHK1 (0.40) CYP2C9ALDH1A1MAPTLMNA
SCHEMBL12375877 0.84 MAOA (0.45) CYP2C9ALDH1A1MAPTLMNAOPRL1
SCHEMBL12621600 0.84 CYP2C9 (0.34) CYP2C9KDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL12375971 0.84 MAOA (0.34) OPRL1

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-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-08-11 US disclosed
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-08-11 US disclosed
US-7951305-B2 Compound having hydrocoumarin skeleton, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-7951305-B2 Compound having hydrocoumarin skeleton, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2009-10-29 US disclosed
US-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2009-10-29 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 (2 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-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE HCN2, PIEZO1, TRPV4 CYP2C9 1330/4885KDM4E 3223/4885RAB9A 4147/4885
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 CYP2C9 1598/4885KDM4E 3175/4885RAB9A 4762/4885

“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.