SCHEMBL4276897

SCHEMBL4276897

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.39
CYP3A4 P08684 3/20 0.39
LMNA P02545 3/20 0.39
AR P10275 2/20 0.39
PGR P06401 2/20 0.39
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 1/20 0.39
FGFR1 P11362 1/20 0.35
ESR1 P03372 2/20 0.33
HIF1A Q16665 2/20 0.33
NR3C2 P08235 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4276981 0.88 CYP19A1 (0.41) CYP19A1CYP3A4LMNAPGRNR3C1
SCHEMBL4273308 0.81 CYP19A1 (0.36) CYP19A1CYP3A4LMNAARPGR
SCHEMBL7620452 0.75 POLB (0.39) CYP19A1CYP3A4LMNATSHRESR1
SCHEMBL4266839 0.73 HIF1A (0.33) CYP17A1CYP2C19ESR1HIF1ARECQL
SCHEMBL4269527 0.71 CYP19A1 (0.37) CYP19A1LMNAMAPTESR1
SCHEMBL4267348 0.70 CYP19A1 (0.38) CYP19A1MAPT
SCHEMBL4269267 0.69 POLB (0.33) CYP19A1CYP3A4ALDH1A1
SCHEMBL4267433 0.68 POLB (0.41) CYP19A1CYP3A4LMNAMAPTKMT2A
SCHEMBL7621727 0.67 POLB (0.33) CYP19A1CYP3A4ALDH1A1
SCHEMBL4276424 0.66 POLB (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 2655/4885LMNA 4388/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 CYP19A1 293/4885CYP3A4 3592/4885LMNA 997/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 CYP19A1 1601/4885CYP3A4 1990/4885LMNA 4495/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 CYP19A1 2309/4885CYP3A4 2432/4885LMNA 4359/4885

“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.