SCHEMBL12376041

SCHEMBL12376041

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.40
MAOB P27338 6/20 0.40
CES2 O00748 1/20 0.36
CYP1A2 P05177 2/20 0.34
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
GRM2 Q14416 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 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
SCHEMBL12375880 0.97 MAOA (0.42) MAOAMAOBCES2CYP1A2MAPT
SCHEMBL12375877 0.89 MAOA (0.45) MAOAMAOBMAPTCYP2C9OPRL1
SCHEMBL12376057 0.88 MAOA (0.44) MAOAMAOBMAPTCYP2C9OPRL1
SCHEMBL12376116 0.88 CES2 (0.35) MAOAMAOBCES2CYP1A2MAPT
SCHEMBL12375882 0.85 CES2 (0.37) MAOAMAOBCES2CYP1A2MAPT
SCHEMBL12622187 0.84 MAOA (0.35) MAOAMAOBCYP1A2
SCHEMBL12376050 0.83 MAOA (0.40) MAOAMAOBMAPTCYP2C9RAB9A
SCHEMBL12376060 0.83 MAOA (0.37) MAOAMAOBCES2CYP1A2MAPT
SCHEMBL12621595 0.83 GRM2 (0.38) CES2CYP1A2GRM2
SCHEMBL12408862 0.82 MAOB (0.39) MAOAMAOBCYP2C9OPRL1

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 4652/4885CES2 2931/4885
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 MAOA 4053/4885MAOB 4167/4885CES2 2498/4885

“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.