SCHEMBL10132576

SCHEMBL10132576

COc1ccc2c(c1)C(C(C)(C)C)CC2=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
CYP19A1 P11511 10/20 0.49
MAOB P27338 8/20 0.49
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ABCB1 P08183 1/20 0.45
AR P10275 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5266396 0.79 KDM4E (0.56) GAALMNACYP19A1MAOBCYP3A4
SCHEMBL15724892 0.78 LMNA (0.50) GAALMNACYP19A1MAOBCYP3A4
SCHEMBL1893563 0.78 GAA (0.52) GAALMNACYP19A1MAOBCYP3A4
SCHEMBL22319274 0.78 GAA (0.52) GAALMNACYP19A1MAOBCYP3A4
SCHEMBL30375827 0.78 GAA (0.52) GAALMNACYP19A1MAOBCYP3A4
SCHEMBL22319275 0.78 GAA (0.52) GAALMNACYP19A1MAOBCYP3A4
SCHEMBL10163625 0.76 LMNA (0.51) GAALMNACYP19A1MAOBCYP3A4
SCHEMBL10069796 0.75 MAP2K3 (0.59) GAALMNACYP19A1MAOBCYP3A4
SCHEMBL11391160 0.75 CYP19A1 (0.63) CYP19A1MAOBCYP3A4ALDH1A1
SCHEMBL570789 0.75 ALDH1A1 (0.55) GAALMNACYP19A1MAOBCYP3A4

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-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 US 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 (6 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB GAA 4792/4885LMNA 2529/4885CYP19A1 2878/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 GAA 1190/4885LMNA 1371/4885CYP19A1 2547/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB GAA 4309/4885LMNA 4540/4885CYP19A1 4479/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB GAA 4792/4885LMNA 2529/4885CYP19A1 2878/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB GAA 4160/4885LMNA 4447/4885CYP19A1 4513/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 GAA 1096/4885LMNA 1220/4885CYP19A1 2561/4885

“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.