SCHEMBL15433974

SCHEMBL15433974

C=CC(=O)Oc1ccc2c(ccc3cc(CCCOC(=O)C(=C)C)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.46
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MET P08581 5/20 0.36
TSHR P16473 3/20 0.35
HTR2C P28335 1/20 0.34

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
SCHEMBL18472703 0.97 THRB (0.48) THRBPOLBAPEX1HTTTDP1
SCHEMBL22426062 0.94 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL18194801 0.93 THRB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL803176 0.92 POLB (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL22311497 0.90 THRB (0.46) THRBPOLBAPEX1HTTTDP1
SCHEMBL22426054 0.90 POLB (0.42) THRBPOLBAPEX1HTTTDP1
SCHEMBL12321292 0.90 LMNA (0.42) THRBPOLBAPEX1HTTTDP1
SCHEMBL10024105 0.89 THRB (0.46) THRBKDM4ENPC1LMNATP53
SCHEMBL802755 0.89 POLB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL31092348 0.88 THRB (0.49) THRBKDM4ENPC1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030350-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-02-01 US disclosed
US-20180030350-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-02-01 US disclosed
US-20140022473-A1 Liquid-crystal display MERCK PATENT GMBH (DE) 2014-01-23 US disclosed
US-20140022473-A1 Liquid-crystal display MERCK PATENT GMBH (DE) 2014-01-23 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-20180030350-A1 LIQUID-CRYSTALLINE MEDIUM VIM, COL2A1, COL1A1 THRB 3914/4885POLB 1571/4885APEX1 3715/4885

“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.