SCHEMBL17517673

SCHEMBL17517673

CCC1(CCOS(C)(=O)=O)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL24906927 0.91 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16132916 0.86 KDM4E (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3462927 0.82 KDM4E (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18256652 0.82 KDM4E (0.31) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16454445 0.76 USP2 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL12027551 0.74 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15605706 0.74 USP2 (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL12240998 0.71 KDM4E (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2754830 0.70
SCHEMBL16862274 0.69 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9

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-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 US disclosed
US-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-11 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-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 KDM4E 166/4885USP2 1166/4885ALDH1A1 559/4885

“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.