SCHEMBL12376031

SCHEMBL12376031

CCCC1CCC(c2ccc3c(c2F)C(=O)OC(CCC2CCC(CC)CC2)C3)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
MAOA P21397 1/20 0.32
OPRL1 P41146 4/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
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
SCHEMBL12621600 0.93 CYP2C9 (0.34) CYP2C9MAOAOPRL1ALDH1A1MAPT
SCHEMBL12375875 0.92 MAOA (0.38) CYP2C9MAOAOPRL1ALDH1A1MAPT
SCHEMBL12376042 0.89 MAOA (0.36) CYP2C9MAOAOPRL1ALDH1A1MAPT
SCHEMBL12375881 0.89 GRM2 (0.38)
SCHEMBL12621595 0.89 GRM2 (0.38)
SCHEMBL12376010 0.87 CYP2C9 (0.32) CYP2C9OPRL1ALDH1A1MAPTLMNA
SCHEMBL12622304 0.86 CYP2C9 (0.32) CYP2C9OPRL1ALDH1A1MAPTLMNA
SCHEMBL12376057 0.85 MAOA (0.44) CYP2C9MAOAOPRL1ALDH1A1MAPT
SCHEMBL12375990 0.85 MAOA (0.37) CYP2C9MAOAOPRL1
SCHEMBL12375882 0.85 CES2 (0.37) MAOAMAPT

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 3 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-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

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 1330/4885MAOA 4598/4885OPRL1 1282/4885
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 CYP2C9 1598/4885MAOA 4053/4885OPRL1 641/4885

“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.