SCHEMBL14701740

SCHEMBL14701740

C=C(C)C(=O)OC(CCCCCCCCC)Oc1ccc(-c2ccc(C)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH2 P05091 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP13 P45452 5/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP12 P39900 3/20 0.32
RARB P10826 3/20 0.32
S1PR1 P21453 1/20 0.31
MMP8 P22894 1/20 0.31
CTRC Q99895 1/20 0.31
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL14439043 0.87
SCHEMBL15313430 0.85
SCHEMBL14701748 0.85 PPARG (0.38) TSHRALDH2RARBCTRCMAPT
SCHEMBL14438727 0.81
SCHEMBL15313438 0.80 MMP13 (0.32) MMP13
SCHEMBL11967010 0.80 GAA (0.42) TSHRRARBMAPTPOLBAPEX1
SCHEMBL11967008 0.80 GAA (0.42) TSHRRARBMAPTPOLBAPEX1
SCHEMBL28355152 0.79 THRB (0.45) TSHRS1PR1
SCHEMBL11967011 0.79 L3MBTL1 (0.41) TSHRRARBMAPTPOLBAPEX1
SCHEMBL28678913 0.78 POLB (0.48) TSHRRARBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130037752-A1 ELECTROLUMINESCENT MATERIALS COMPRISING FLUORENE DERIVATIVES LOMOX LIMITED (GB) 2013-02-14 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-20130037752-A1 ELECTROLUMINESCENT MATERIALS COMPRISING FLUORENE DERIVATIVES SPIN2B, FLNB, LMNB2 TSHR 3055/4885ALDH2 931/4885CYP1A2 1756/4885

“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.