SCHEMBL4274528

SCHEMBL4274528

CCC(=O)OC1CC(=O)C=CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
MAPT P10636 3/20 0.38
CYP2C19 P33261 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
NR3C1 P04150 1/20 0.38
CYP17A1 P05093 1/20 0.38
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
OPRK1 P41145 1/20 0.38
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
CYP19A1 P11511 3/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
BLM P54132 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
SCHEMBL4272269 0.88 NLRP3 (0.38) MAPTLMNAARNFKB1NFKB2
SCHEMBL4273300 0.82 CYP17A1 (0.36) CYP3A4CYP2C19CYP17A1CYP2C9NFKB1
SCHEMBL4270196 0.72 MTNR1A (0.39) CYP3A4MAPTCYP2C19CYP2C9TSHR
SCHEMBL28510806 0.71 CHRM2 (0.37) CYP3A4MAPTCYP2C19NR1I2LMNA
SCHEMBL4276971 0.71 GBA1 (0.34) CYP3A4LMNATSHRCYP19A1ALDH1A1
SCHEMBL4274470 0.70 CYP19A1 (0.30) CYP19A1
SCHEMBL9857138 0.70 NFKB1 (0.47) CYP3A4MAPTCYP2C19NR1I2LMNA
SCHEMBL28684224 0.68 CHRM2 (0.40) CYP3A4MAPTCYP2C19NR1I2LMNA
SCHEMBL4272216 0.68 ALDH1A1 (0.33) MAPTCYP2C19ALDH1A1CYP1A2HPGD
SCHEMBL4279262 0.67 PGR (0.30) PGRARNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605183-B2 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2009-10-20 US disclosed
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions KOYAMA SHOZO 2008-08-21 US disclosed
US-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2007-03-22 US disclosed
EP-0780122-B1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE KOYAMA SHOZO (JP) 2006-11-22 EP disclosed
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2004-11-11 US disclosed
US-6710090-B2 A CYCLOHEX-1-EN-2-ONE COMPOUND KOYAMA SHOZO (JP) 2004-03-23 US disclosed
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2002-11-07 US disclosed
US-6346551-B1 ANTIBACTERIAL, ANTIFUNGAL, ANTIVIRAL, BACTERICIDAL AND/OR STERILIZATION AGENTS, ANTICANCER DRUGS, BLOOD COAGULATION AND FIBRINOLYSIS INHIBITORS AND/OR BLOCKING AGENTS, INHIBITORY AND/OR BLOCKING AGENTS OF ANTIGEN-ANTIBODY REACTIONS KOYAMA SHOZO (JP) 2002-02-12 US disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 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 (4 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-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, SERPINB6, CD74 CYP3A4 2655/4885MAPT 4875/4885CYP2C19 3070/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 CYP3A4 3592/4885MAPT 2607/4885CYP2C19 3619/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 CYP3A4 1990/4885MAPT 4860/4885CYP2C19 2716/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 CYP3A4 2432/4885MAPT 4865/4885CYP2C19 3257/4885

“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.