SCHEMBL1813044

SCHEMBL1813044

CCCCCc1ccc(CC(=O)Oc2ccccc2C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
THRB P10828 8/20 0.47
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRA P10827 7/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1201192 0.81 PTGDR2 (0.56) ALDH1A1ATMTDP1L3MBTL1HPGD
SCHEMBL7285448 0.80 KMT2A (0.57) ALDH1A1THRBHPGDTHRAMEN1
SCHEMBL20143639 0.79 KMT2A (0.63) ALDH1A1HPGDMEN1KMT2APTGDR2
SCHEMBL12375472 0.76 ALDH1A1 (0.44) ALDH1A1THRBHPGDHSD17B10THRA
SCHEMBL1811964 0.76 ALDH1A1 (0.41) ALDH1A1THRBHPGDHSD17B10THRA
SCHEMBL28404164 0.76 THRA (0.61) ALDH1A1THRBTHRAMEN1KMT2A
SCHEMBL1201154 0.75 ALDH1A1 (0.52) ALDH1A1THRBTDP1HPGDMEN1
SCHEMBL1813046 0.75 PPARG (0.47) ALDH1A1THRBTHRAMEN1KMT2A
SCHEMBL1200995 0.75 ALDH1A1 (0.55) ALDH1A1THRBTDP1HPGDMEN1
SCHEMBL23521630 0.74 ALDH1A1 (0.66) ALDH1A1THRBHPGDHSD17B10THRA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958945-B1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2014-11-12 EP disclosed
US-8366963-B2 Compound having hydrocoumarin skeleton, liquid crystal compostition, and liquid crystal display device JNC CORPORATION (JP) 2013-02-05 US disclosed
US-8366963-B2 Compound having hydrocoumarin skeleton, liquid crystal compostition, and liquid crystal display device JNC CORPORATION (JP) 2013-02-05 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-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
EP-1958945-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2008-08-20 EP 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 ALDH1A1 3098/4885THRB 4793/4885ATM 1946/4885
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 ALDH1A1 3754/4885THRB 4458/4885ATM 2890/4885

“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.