SCHEMBL5451065

SCHEMBL5451065

COCOc1ccc(CC(=O)OC)c(OCOC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
BACE1 P56817 1/20 0.40
TSHR P16473 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSP90AB1 P08238 1/20 0.37
FYN P06241 1/20 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
SCHEMBL31711431 0.86 HSD17B10 (0.50) ALDH1A1KMT2AMEN1KDM4EBACE1
SCHEMBL27634760 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL15043182 0.84 KMT2A (0.39) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL27634750 0.84 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL15043107 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL4379691 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL18066342 0.80 L3MBTL1 (0.47) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL2859836 0.79 HSP90AB1 (0.35) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL4031442 0.79 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL4390545 0.79 ROR1 (0.43) ALDH1A1KDM4EHPGDBACE1TSHR

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-20070037874-A1 Manufacturing process of isoflavan or isoflavene derivatives BICBIO CO., LTD. (KR) 2007-02-15 US disclosed
WO-2005037815-A1 A MANUFACTURING PROCESS OF ISOFLAVAN OR ISOFLAVENE DERIVATIVES BICBIO CO., LTD. (KR) 2005-04-28 WO 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-20070037874-A1 Manufacturing process of isoflavan or isoflavene derivatives CYP51A1, CYP2E1, CYP2F1 ALDH1A1 769/4885KMT2A 4366/4885MEN1 2928/4885

“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.