SCHEMBL717628

SCHEMBL717628

C=C(C)C(=O)OCCCc1c(OCC)c(OCC)c(OCC)c(OCC)c1OCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
TSHR P16473 5/20 0.51
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 8/20 0.33
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL27427975 0.79 TSHR (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL7092835 0.77 THRB (0.76) THRBTSHRPOLBAPEX1HTT
SCHEMBL6292018 0.77 THRB (0.51) THRBTSHRPOLBAPEX1HTT
SCHEMBL6131096 0.76 THRB (0.39) THRBTSHRALDH1A1
SCHEMBL3265039 0.75 THRB (0.73) THRBTSHRPOLBAPEX1HTT
SCHEMBL10378212 0.75 TSHR (0.76) THRBTSHRPOLBAPEX1HTT
SCHEMBL11600594 0.75 TSHR (0.69) THRBTSHRPOLBAPEX1HTT
SCHEMBL1083624 0.74 TSHR (0.75) THRBTSHRPOLBAPEX1HTT
SCHEMBL7090691 0.74 TSHR (0.81) THRBTSHRPOLBAPEX1HTT
Ethyl Acetate SCHEMBL28232168 0.74 THRB (0.70) THRBTSHRPOLBAPEX1HTT

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-8123987-B2 Chromene compounds TOKUYAMA CORPORATION (JP) 2012-02-28 US disclosed
US-7951445-B2 Photochromic optical article and method of producing the same TOKUYAMA CORPORATION (JP) 2011-05-31 US disclosed
US-20100230648-A1 Chromene Compounds TOKUYAMA CORPORATION (JP) 2010-09-16 US disclosed
US-20080226883-A1 Photochromic Optical Article and Method of Producing the Same TOKUYAMA CORPORATION (JP) 2008-09-18 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-20100230648-A1 Chromene Compounds H1-4, RB1, H1-0 THRB 3240/4885TSHR 1173/4885POLB 1918/4885

“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.