SCHEMBL10071810

SCHEMBL10071810

O=C(O)CCC(O)[C@H](O)[C@H](O)CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.46
KDM4A O75164 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM2A Q9Y2K7 2/20 0.46
TET3 O43151 1/20 0.46
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44

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
SCHEMBL16600326 0.90 TET2 (0.50) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL16600592 0.86 PDE4A (0.48) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3687001 0.81 PDE4A (0.54) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL26138094 0.81 FOLH1 (0.48) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL16600086 0.81 SLC22A6 (0.42) FOLH1GPR84LMNA
SCHEMBL28908459 0.79 PDE4A (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL10599631 0.79 TET2 (0.60) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL15484277 0.79 THRB (0.44) LMNA
SCHEMBL16600318 0.76 GABRP (0.50) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL26138074 0.76 TET2 (0.52) TET2KDM4AKDM4CKDM2ATET3

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-8093410-B2 Intermediates and methods for the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-01-10 US disclosed
US-20090198074-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI CO., LTD. (JP) 2009-08-06 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-20090198074-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS DHPS, LSS, BMP2 TET2 2765/4885KDM4A 4303/4885KDM4C 3839/4885

“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.