SCHEMBL17350002

SCHEMBL17350002

c1cc(OCC2CO2)c(CC2CO2)cc1-c1ccc(OC[C@@H]2CO2)c(CC2CO2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GLA P06280 1/20 0.47
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
VDR P11473 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36

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
SCHEMBL17045643 1.00 ALDH1A1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL19227272 0.89 ALDH1A1 (0.39) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL3699407 0.84 ALDH1A1 (0.45) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL24809821 0.81 ALDH1A1 (0.50) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL17055414 0.81 CNR2 (0.43) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL15814632 0.81 CNR2 (0.43) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL30872085 0.80 TSHR (0.57) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL16744363 0.80 TSHR (0.57) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL30899629 0.80 TSHR (0.57) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL15835667 0.80 ALDH1A1 (0.45) ALDH1A1GLATP53TSHRHIF1A

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
EP-2960245-A1 EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, METHOD FOR MANUFACTURING SAME, COMPOSITION AND CURED PRODUCT INCLUDING SAME, AND USE THEREOF Korea Institute of Industrial Technology (KR) 2015-12-30 EP disclosed
US-20150361211-A1 EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, METHOD OF PREPARING THE SAME, COMPOSITION AND CURED PRODUCT COMPRISING THE SAME, AND USE THEREOF KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-12-17 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-20150361211-A1 EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, METHOD OF PREPARING THE SAME, COMPOSITION AND CURED PRODUCT COMPRISING THE SAME, AND USE THEREOF ESD, PFAS, SCD5 ALDH1A1 514/4885GLA 1424/4885TP53 4520/4885

“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.