SCHEMBL9906504

SCHEMBL9906504

C=CC(=O)OCCCCCCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(OCCCCCCOC(=O)C=C)ccc5c4)c(-c4ccc(C)cc4)c3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.36
KMT2A Q03164 3/20 0.36
GBA1 P04062 1/20 0.36
THRA P10827 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SYK P43405 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
THRB P10828 1/20 0.34
ESR1 P03372 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9906505 0.91 THRB (0.42) PTPN11KMT2ATHRAHTTALDH1A1
SCHEMBL12742946 0.90 KMT2A (0.40) KMT2AGBA1FFAR1FFAR4SYK
SCHEMBL9906502 0.88 KMT2A (0.37) KMT2ATSHRMAPTPPARGTHRB
SCHEMBL12733887 0.87 THRA (0.39) THRAHTTALDH1A1CYP3A4TSHR
SCHEMBL9906491 0.87 THRA (0.39) THRAHTTALDH1A1CYP3A4TSHR
SCHEMBL9906494 0.87 THRA (0.39) THRAHTTALDH1A1CYP3A4TSHR
SCHEMBL9906498 0.86 THRA (0.39) THRAHTTALDH1A1CYP3A4TSHR
SCHEMBL9906496 0.86 THRB (0.38) KMT2ATHRAHTTALDH1A1CYP3A4
SCHEMBL15582428 0.85 HTT (0.38) KMT2AGBA1HTTCYP3A4MAPT
SCHEMBL15582405 0.85 L3MBTL1 (0.40) THRAHTTTSHRMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197710-B2 Polymerizable compound and polymerizable composition ADEKA CORPORATION (JP) 2012-06-12 US disclosed
US-20100294990-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2010-11-25 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-20100294990-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION PYM1, SCO2, ZYX PTPN11 2381/4885KMT2A 1150/4885GBA1 2426/4885

“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.