SCHEMBL3021896

SCHEMBL3021896

COc1c[c]cc(OC)c1-c1ccc(C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NFE2L2 Q16236 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
CASR P41180 10/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
DHFR P00374 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL730296 0.81 ERN1 (0.38) ERN1ALDH1A1GAAMEN1KMT2A
SCHEMBL733076 0.79 ACHE (0.40) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL730765 0.79 CA12 (0.46) SMN1; SMN2
SCHEMBL21167030 0.78 CYP2D6 (0.47) ERN1ALDH1A1HPGDXBP1CASR
SCHEMBL28451770 0.77 PDE4A (0.41) ALDH1A1HPGDMEN1KMT2A
SCHEMBL733057 0.76 CA1 (0.44) ALDH1A1SMN1; SMN2HPGDGAAMEN1
SCHEMBL7008082 0.74 NFE2L2 (0.38) ERN1ALDH1A1SMN1; SMN2NFE2L2HPGD
SCHEMBL8801058 0.73 PDE4A (0.50) ERN1ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL18713617 0.69 ERN1 (0.54) ERN1ALDH1A1MEN1KMT2A
SCHEMBL27837169 0.69 PDE3B (0.35) HDAC4HDAC8GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US claimed
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO claimed
US-8653262-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 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 (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-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof CCR2, CCRL2, CCR1 ERN1 4357/4885ALDH1A1 1767/4885SMN1; SMN2 4766/4885

“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.