SCHEMBL1779901

SCHEMBL1779901

COC(=O)C1C(O)CC(C)CC1(C)c1ccc(C)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCR2 P41597 6/20 0.37
EPHX2 P34913 1/20 0.36
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A4 P31645 5/20 0.33
ATM Q13315 1/20 0.33
SLC6A3 Q01959 4/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3226941 0.88 CCR2 (0.40) MEN1KMT2ACCR2EPHX2ALDH1A1
SCHEMBL1779888 0.78 MEN1 (0.37) MEN1KMT2ACCR2EPHX2HPGD
SCHEMBL1780501 0.77 CCR2 (0.47) MEN1KMT2ACCR2HPGDALDH1A1
SCHEMBL1781978 0.74 CCR2 (0.42) MEN1KMT2ACCR2ALDH1A1SMN1; SMN2
SCHEMBL1781064 0.71 SLC6A3 (0.46) CCR2SLC6A4SLC6A3
SCHEMBL3233210 0.71 CCR2 (0.49) CCR2ALDH1A1SLC6A3
SCHEMBL3235269 0.69 CCR2 (0.40) MEN1KMT2ACCR2EPHX2ALDH1A1
SCHEMBL1779902 0.69 CCR2 (0.40) MEN1KMT2ACCR2EPHX2ALDH1A1
SCHEMBL1778995 0.68 CCR2 (0.44) CCR2SLC6A4SLC6A3
SCHEMBL1781951 0.64 CCR2 (0.81) CCR2

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-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
EP-2318352-A2 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2011-05-11 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-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 MEN1 4508/4885KMT2A 3653/4885CCR2 2/4885

“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.