SCHEMBL10089202

SCHEMBL10089202

CCC1CCC(COC(=O)OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
LMNA P02545 1/20 0.34
CYP19A1 P11511 1/20 0.33
GAA P10253 1/20 0.33
PTGIR P43119 3/20 0.33
ACACB O00763 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR2 P34972 3/20 0.30

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
SCHEMBL698072 0.92
SCHEMBL11146357 0.92 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL16541346 0.86 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL8921598 0.84 POLB (0.36) SLC1A3SLC1A2SLC1A1LMNAGAA
SCHEMBL12375355 0.84 POLB (0.36) SLC1A3SLC1A2SLC1A1LMNAGAA
SCHEMBL698000 0.83 LMNA (0.48) EPHX2SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL698776 0.83 LMNA (0.44) SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL698391 0.82 LMNA (0.52) EPHX2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL4630436 0.82 LMNA (0.52) EPHX2KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL3425672 0.78 BCHE (0.36) SLC1A3SLC1A2SLC1A1LMNAPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-01-31 US disclosed
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-01-31 US disclosed
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-10 US disclosed
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-10 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 (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-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE PDE4A, ADORA2A, PDE4B EPHX2 218/4885MEN1 4866/4885NPC1 4505/4885
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS ADORA2A, ADORA2B, PDE4A EPHX2 624/4885MEN1 4189/4885NPC1 4829/4885

“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.