SCHEMBL17679387

SCHEMBL17679387

O=C(OC/C=C\[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](O)CO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 3/20 0.42
PRKCA P17252 1/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TK1 P04183 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
GAA P10253 1/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 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
SCHEMBL16254155 0.81 LMNA (0.42) KMT2ATDP1SLC6A3ALDH1A1PRKCA
SCHEMBL17679376 0.81 KMT2A (0.50) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL17679392 0.77 KMT2A (0.48) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL29011142 0.72 SLC1A3 (0.41) KMT2AALDH1A1MAPTMEN1CYP1A2
SCHEMBL7159471 0.72 SLC1A3 (0.43) KMT2ASLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL14021052 0.72 SLC1A3 (0.43) KMT2ASLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL18671499 0.71 PRKCA (0.56) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL21063984 0.71 PRKCA (0.56) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL3631853 0.71 HTT (0.43) KMT2AMAPTMAPK1CYP2C19SLC1A1
SCHEMBL8078151 0.69 TDP1 (0.61) KMT2ATDP1SLC6A2SLC6A3ALDH1A1

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-20160101414-A1 HIGHLY Z-SELECTIVE AND ENANTIOSELECTIVE RING OPENING/CROSS METATHESIS CATALYZED BY A RESOLVED STEREOGENIC-AT-RU COMPLEX CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-04-14 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-20160101414-A1 HIGHLY Z-SELECTIVE AND ENANTIOSELECTIVE RING OPENING/CROSS METATHESIS CATALYZED BY A RESOLVED STEREOGENIC-AT-RU COMPLEX ZFR, ZDHHC7, ORC3 KMT2A 1374/4885TDP1 3969/4885SLC6A2 4317/4885

“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.