SCHEMBL12376060

SCHEMBL12376060

CCCCCC1CCC(C2CCC(C(=O)c3ccc4c(c3F)C(=O)OC(C)C4)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.37
MAOB P27338 3/20 0.37
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
IDH1 O75874 1/20 0.32
CCR2 P41597 1/20 0.32
CES2 O00748 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 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
SCHEMBL12376041 0.83 MAOA (0.40) MAOAMAOBKMT2AMEN1CES2
SCHEMBL12622187 0.80 MAOA (0.35) MAOAMAOBCYP1A2
SCHEMBL12375880 0.80 MAOA (0.42) MAOAMAOBKMT2AMEN1CES2
SCHEMBL12375938 0.77 MAOA (0.38) MAOAMAOBCES2CYP1A2
SCHEMBL12621650 0.77 MAOA (0.37) MAOAMAOBCYP1A2
SCHEMBL12375955 0.75 MAOA (0.39) MAOAMAOBCES2CYP1A2
SCHEMBL12376090 0.74 CYP1A2 (0.34) MAOACES2CYP1A2
SCHEMBL26044901 0.74 HTT (0.37) PKMKMT2AMEN1HTTIDH1
SCHEMBL12375972 0.74 CYP1A2 (0.36) MAOACES2CYP1A2MAPT
SCHEMBL12375905 0.73 MAOA (0.41) MAOAMAOB

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 1 patent. 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

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-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 MAOA 4053/4885MAOB 4167/4885PKM 2418/4885

“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.