SCHEMBL4379474

SCHEMBL4379474

COCOc1cc(CC(=O)OC)c(-c2cccc(/C=C/C(C)=O)c2)c(OCOC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.39
FDPS P14324 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
APP P05067 3/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 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
SCHEMBL4379478 1.00 BACE1 (0.39) BACE1FDPSMAPTALDH1A1CYP3A4
SCHEMBL4389672 0.88 NR1H4 (0.38) BACE1MAPTALDH1A1CYP3A4CYP2D6
SCHEMBL4389674 0.88 NR1H4 (0.38) BACE1MAPTALDH1A1CYP3A4CYP2D6
SCHEMBL4384801 0.88 MTNR1A (0.37) BACE1MAPTALDH1A1CYP3A4CYP2D6
SCHEMBL4392523 0.86 HIF1A (0.39) BACE1MAPTALDH1A1CYP3A4CYP2D6
SCHEMBL4392520 0.86 HIF1A (0.39) BACE1MAPTALDH1A1CYP3A4CYP2D6
SCHEMBL4378813 0.85 DYRK3 (0.37) BACE1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL4378810 0.85 DYRK3 (0.37) BACE1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL4390340 0.83 CFD (0.38) MAPTALDH1A1SMN1; SMN2
SCHEMBL2866502 0.82 EGFR (0.43) MAPTALDH1A1CYP2C19KDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P BACE1 3031/4885FDPS 2911/4885MAPT 2443/4885

“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.