SCHEMBL16865347

SCHEMBL16865347

CCOC(=O)C[C@H](O)/C=C/c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 5/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
XBP1 P17861 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL16865346 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1CTDSP1TSHR
SCHEMBL11283691 0.88 CYP4F2 (0.44) MEN1KMT2AALDH1A1CTDSP1TSHR
SCHEMBL10764722 0.88 CYP4F2 (0.44) MEN1KMT2AALDH1A1CTDSP1TSHR
SCHEMBL16865352 0.88 CYP2C9 (0.45) KMT2AALDH1A1CTDSP1TSHRRAB9A
SCHEMBL16865348 0.88 CYP2C9 (0.45) KMT2AALDH1A1CTDSP1TSHRRAB9A
SCHEMBL24575249 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1CTDSP1TSHR
SCHEMBL16865329 0.85 NOS3 (0.45) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL16859612 0.85 NOS3 (0.45) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL16865353 0.85 NOS3 (0.45) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL28319517 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1CTDSP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN MEN1 1813/4885KMT2A 3968/4885ALDH1A1 506/4885

“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.