SCHEMBL12376057

SCHEMBL12376057

CCCC1CCC(CCC2CCC(c3ccc4c(c3F)C(=O)OC(C)C4)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.44
MAOB P27338 5/20 0.44
CYP2C9 P11712 1/20 0.34
OPRL1 P41146 5/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.32
HTT P42858 1/20 0.31
POLL Q9UGP5 1/20 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
SCHEMBL12375877 0.99 MAOA (0.45) MAOAMAOBCYP2C9OPRL1ALDH1A1
SCHEMBL12376050 0.92 MAOA (0.40) MAOAMAOBCYP2C9OPRL1ALDH1A1
SCHEMBL12408862 0.92 MAOB (0.39) MAOAMAOBCYP2C9OPRL1
SCHEMBL12375880 0.91 MAOA (0.42) MAOAMAOBCYP2C9OPRL1MAPT
SCHEMBL12376066 0.91 MAOA (0.39) MAOAMAOBCYP2C9
SCHEMBL12409596 0.89 MAOB (0.37) MAOAMAOB
SCHEMBL12376041 0.88 MAOA (0.40) MAOAMAOBCYP2C9OPRL1MAPT
SCHEMBL12621600 0.87 CYP2C9 (0.34) MAOAMAOBCYP2C9OPRL1ALDH1A1
SCHEMBL12375875 0.86 MAOA (0.38) MAOAMAOBCYP2C9OPRL1ALDH1A1
SCHEMBL12376067 0.86 MAOA (0.40) MAOAMAOBOPRL1

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 MAOA 4598/4885MAOB 4652/4885CYP2C9 1330/4885
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 MAOA 4053/4885MAOB 4167/4885CYP2C9 1598/4885

“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.