SCHEMBL4273308

SCHEMBL4273308

CC(=O)OC1=CC(=O)CCC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.36
CYP3A4 P08684 6/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
NR3C1 P04150 3/20 0.33
PGR P06401 3/20 0.33
AR P10275 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
CYP2C9 P11712 2/20 0.33
ABCB11 O95342 2/20 0.33
HIF1A Q16665 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
GLA P06280 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
SCHEMBL4276897 0.81 CYP19A1 (0.39) CYP19A1CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL4276981 0.79 CYP19A1 (0.41) CYP19A1CYP3A4LMNAHPGDNR3C1
SCHEMBL7620452 0.79 POLB (0.39) CYP19A1CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL4269267 0.73 POLB (0.33) CYP19A1CYP3A4ALDH1A1POLB
SCHEMBL7621727 0.70 POLB (0.33) CYP19A1CYP3A4ALDH1A1POLB
SCHEMBL15426909 0.69 LMNA (0.40) CYP19A1CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL4269527 0.68 CYP19A1 (0.37) CYP19A1LMNAESR1ESR2
SCHEMBL4264715 0.68 POLB (0.43) CYP3A4ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL6639439 0.67 GLA (0.38) ALDH1A1LMNAHPGDPGRAR
SCHEMBL4267348 0.67 CYP19A1 (0.38) CYP19A1

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 CYP19A1 2046/4885CYP3A4 2655/4885ALDH1A1 1104/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 CYP19A1 293/4885CYP3A4 3592/4885ALDH1A1 2177/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 CYP19A1 1601/4885CYP3A4 1990/4885ALDH1A1 595/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 CYP19A1 2309/4885CYP3A4 2432/4885ALDH1A1 1294/4885

“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.