SCHEMBL17679376

SCHEMBL17679376

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
TK1 P04183 1/20 0.37
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 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
SCHEMBL17679392 0.90 KMT2A (0.48) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL17679369 0.86 ALDH1A1 (0.49) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL16254156 0.82 LMNA (0.46) KMT2ATDP1LMNAALDH1A1MAPT
SCHEMBL17679387 0.81 KMT2A (0.46) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL17679386 0.81 MAPK1 (0.41) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL17679383 0.80 TSHR (0.41) KMT2AMAPTTK1SLC1A3SLC1A2
SCHEMBL17679381 0.78 RCE1 (0.39) KMT2ASLC6A2SLC6A3LMNAALDH1A1
SCHEMBL17679388 0.78 ALDH1A1 (0.41) KMT2AALDH1A1MAPTCYP3A4SLC1A3
SCHEMBL16308015 0.77 MAOB (0.44) KMT2ASLC6A2SLC6A3MAPK1SLC1A3
SCHEMBL17679379 0.76 ALDH1A1 (0.40) KMT2ALMNAALDH1A1MAPTSMN1; SMN2

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.