SCHEMBL4266629

SCHEMBL4266629

CC1(C)CCC(=O)C=C1c1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP17A1 P05093 4/20 0.32
CYP21A2 P08686 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL4268745 0.80 KDM4E (0.39) CYP19A1POLBALDH1A1L3MBTL1CYP17A1
SCHEMBL4268252 0.73 EEF2K (0.37) CYP19A1ESR1ESR2POLBALDH1A1
SCHEMBL4272291 0.73 KDM4E (0.35) CYP19A1ESR1ESR2ALDH1A1CYP17A1
SCHEMBL4274351 0.73 CYP19A1 (0.47) CYP19A1ESR1ESR2POLBALDH1A1
SCHEMBL4274747 0.69 CYP19A1 (0.31) CYP19A1ALDH1A1L3MBTL1
SCHEMBL4269244 0.68 SRD5A1 (0.37) CYP19A1ESR1ESR2POLBALDH1A1
SCHEMBL4265395 0.68 ALDH1A1 (0.36) CYP19A1ESR1ESR2POLBALDH1A1
SCHEMBL4274384 0.67 NPC1 (0.40) CYP19A1POLBALDH1A1CYP3A4
SCHEMBL4271535 0.67 CHRM1 (0.35) CYP19A1ESR1ESR2POLB
SCHEMBL857338 0.66 POLB (0.37) CYP19A1ESR1ESR2POLBALDH1A1

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 2046/4885ESR1 2813/4885ESR2 1267/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 CYP19A1 293/4885ESR1 780/4885ESR2 2224/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 CYP19A1 1601/4885ESR1 3634/4885ESR2 1579/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 CYP19A1 2309/4885ESR1 2491/4885ESR2 984/4885

“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.