SCHEMBL1779889

SCHEMBL1779889

Cc1ccc(C2(C)CC(C)CC(=O)C2(C)C(=O)O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.33
MGLL Q99685 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1782138 0.90 CCR2 (0.49) CCR2
SCHEMBL1779902 0.76 CCR2 (0.40) CCR2KMT2AMEN1L3MBTL1EPHX2
SCHEMBL3235269 0.73 CCR2 (0.40) CCR2KMT2AMEN1L3MBTL1EPHX2
SCHEMBL1779888 0.68 MEN1 (0.37) CCR2KMT2AMEN1L3MBTL1EPHX2
Bicarbonate SCHEMBL14237079 0.68 CCR2 (0.47) CCR2KMT2AMEN1
SCHEMBL1781951 0.68 CCR2 (0.81) CCR2
SCHEMBL1779234 0.67 CCR2 (0.46) CCR2KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL3226941 0.66 CCR2 (0.40) CCR2KMT2AMEN1EPHX2ALDH1A1
Bicarbonate SCHEMBL14238261 0.64 CCR2 (0.51) CCR2
SCHEMBL3220089 0.62 CCR2 (0.49) 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 CCR2 2/4885KMT2A 3653/4885MEN1 4508/4885

“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.