SCHEMBL12376021

SCHEMBL12376021

CCCc1ccc(C2Cc3ccc(C4CCC(CCC)CC4)c(F)c3C(=O)O2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR1 O14842 1/20 0.30
OPRL1 P41146 2/20 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
SCHEMBL12376121 0.97 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTESR1
SCHEMBL12376108 0.90 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13671405 0.82 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12376113 0.82 SPHK1 (0.43) ESR1ESR2
SCHEMBL12376034 0.82 CACNA1H (0.31) CYP2C9ESR1ESR2
SCHEMBL12376023 0.82 ALDH1A1 (0.39) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL12376083 0.82 OPRL1 (0.32) CYP2C9ALDH1A1LMNAMAPTOPRL1
SCHEMBL12376052 0.81 MAOA (0.41)
SCHEMBL12376118 0.81 SPHK1 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12621600 0.81 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1

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 1330/4885ALDH1A1 3098/4885LMNA 1252/4885
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 CYP2C9 1598/4885ALDH1A1 3754/4885LMNA 989/4885

“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.