SCHEMBL3025233

SCHEMBL3025233

CCOCCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NAAA Q02083 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.31
HSD11B1 P28845 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL75092 0.98 CYP1A2 (0.50) CYP1A2KDM4EPOLBNFE2L2ALDH1A1
SCHEMBL12461290 0.95
SCHEMBL14479645 0.90
SCHEMBL23815628 0.88 CYP1A2 (0.56) CYP1A2KDM4EPOLBNAAASIGMAR1
SCHEMBL24489452 0.86 CYP1A2 (0.54) CYP1A2KDM4EPOLBNAAASIGMAR1
SCHEMBL23014863 0.84 CYP1A2 (0.52) CYP1A2KDM4EPOLBNAAASIGMAR1
SCHEMBL5215905 0.84 CYP1A2 (0.58) CYP1A2KDM4EPOLBNAAASIGMAR1
SCHEMBL8986251 0.84 NFE2L2 (0.42) CYP1A2KDM4ENFE2L2ALDH1A1SIGMAR1
SCHEMBL16404829 0.83 CYP1A2 (0.50) CYP1A2NFE2L2SIGMAR1SMN1; SMN2
SCHEMBL23014969 0.82 CYP1A2 (0.56) CYP1A2KDM4EPOLBNAAASIGMAR1

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 11 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
WO-2022192598-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-15 WO disclosed
EP-3022208-B1 METHOD AND APPARATUS FOR THE SYNTHESIS OF DIHYDROARTEMISININ AND ARTEMISININ DERIVATIVES MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS (DE) 2017-06-14 EP disclosed
US-20150045357-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-02-12 US disclosed
US-8653262-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
WO-2010098119-A1 COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE COMPLEX COMPOUND 三井化学株式会社 (JP) 2010-09-02 WO 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 (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-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof CCR2, CCRL2, CCR1 CYP1A2 755/4885KDM4E 4483/4885POLB 4261/4885
US-20150045357-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL3 CYP1A2 3904/4885KDM4E 1153/4885POLB 1765/4885

“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.