SCHEMBL12801686

SCHEMBL12801686

COCCC1CCN(C(C)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
CNR2 P34972 1/20 0.40
EPHX2 P34913 4/20 0.39
EPHX1 P07099 2/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
MEN1 O00255 2/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL19049361 0.89 KDM4E (0.45) AKR1C3CNR2EPHX2EPHX1KMT2A
SCHEMBL28204197 0.87 AKR1C3 (0.49) AKR1C3KMT2AALDH1A1TEAD1TEAD3
SCHEMBL19041082 0.85 CHEK2 (0.40) AKR1C3EPHX2EPHX1TEAD1TEAD3
SCHEMBL12545725 0.84 CHRM4 (0.39) AKR1C3EPHX2EPHX1TEAD1TEAD3
SCHEMBL27270756 0.84 AKR1C3 (0.47) AKR1C3KMT2AALDH1A1TEAD1TEAD3
SCHEMBL19049434 0.82 AKR1C3 (0.46) AKR1C3EPHX2EPHX1ALDH1A1
SCHEMBL12801183 0.82 ALDH1A1 (0.43) EPHX2EPHX1ALDH1A1TEAD1TEAD3
SCHEMBL12522395 0.82 AKR1C3 (0.46) AKR1C3ALDH1A1
SCHEMBL23716464 0.81 CHRNB2 (0.41) AKR1C3KMT2A
SCHEMBL4550273 0.81 CYP4F2 (0.41) EPHX2EPHX1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393922-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-07-03 EP disclosed
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES NOVO NORDISK A/S (DK) 2016-12-08 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST NOVO NORDISK HEALTHCARE AG (CH) 2014-09-18 US disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 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 (3 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-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 AKR1C3 1064/4885CNR2 4058/4885EPHX2 2200/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK AKR1C3 4091/4885CNR2 4205/4885EPHX2 2474/4885
US-20160355859-A1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES TGM2, TGM3, TGM1 AKR1C3 3887/4885CNR2 4883/4885EPHX2 2037/4885

“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.