SCHEMBL7702496

SCHEMBL7702496

CCCCOC1CC(C(=O)O)(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
PPP5C P53041 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
TSHR P16473 2/20 0.33
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
GBA1 P04062 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL15928428 0.87 EPHX2 (0.37) EPHX2PPP5CALDH1A1MEN1KMT2A
SCHEMBL15259141 0.84 EPHX2 (0.38) EPHX2PPP5CALDH1A1MEN1KMT2A
SCHEMBL15318696 0.84 EPHX2 (0.38) EPHX2PPP5CALDH1A1MEN1KMT2A
SCHEMBL10040088 0.82 GRM4 (0.41) EPHX2PPP5CALDH1A1MEN1KMT2A
SCHEMBL9914758 0.82 GRM4 (0.41) EPHX2PPP5CALDH1A1MEN1KMT2A
SCHEMBL7700042 0.81 EPHX2 (0.39) EPHX2PPP5CALDH1A1ATMTSHR
SCHEMBL19363857 0.81 EPHX2 (0.36) EPHX2PPP5CALDH1A1MEN1KMT2A
SCHEMBL28317777 0.80 ALDH1A1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL15046715 0.77 EPHX2 (0.36) EPHX2PPP5CALDH1A1MEN1KMT2A
SCHEMBL16985430 0.75 EPHX2 (0.35) EPHX2PPP5CALDH1A1TSHRGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017165233-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 WO disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 US disclosed
WO-2011143366-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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 (2 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-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, HDAC10 EPHX2 2369/4885PPP5C 407/4885ALDH1A1 1892/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A EPHX2 2183/4885PPP5C 313/4885ALDH1A1 1809/4885

“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.