SCHEMBL4272291

SCHEMBL4272291

CC1(C)CCC(=O)C=C1c1ncc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP17A1 P05093 1/20 0.34
NISCH Q9Y2I1 2/20 0.34
BRD4 O60885 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
CYP19A1 P11511 3/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL4266629 0.73 CYP19A1 (0.34) ALDH1A1CYP17A1CYP19A1ESR1ESR2
SCHEMBL4267445 0.73 NISCH (0.33) KDM4EALDH1A1CYP17A1NISCHBRD4
SCHEMBL7624321 0.69 CYP17A1 (0.66) ALDH1A1CYP17A1CYP19A1
SCHEMBL4268745 0.69 KDM4E (0.39) KDM4EALDH1A1CYP17A1BRD4CYP19A1
SCHEMBL4268252 0.69 EEF2K (0.37) ALDH1A1SMPD3CYP19A1ESR1ESR2
SCHEMBL4273595 0.66 NISCH (0.34) KDM4EALDH1A1CYP17A1NISCHBRD4
SCHEMBL4274351 0.65 CYP19A1 (0.47) ALDH1A1CYP19A1ESR1ESR2
SCHEMBL4274384 0.63 NPC1 (0.40) KDM4EALDH1A1NISCHCYP19A1
SCHEMBL4271535 0.62 CHRM1 (0.35) CYP19A1ESR1ESR2
SCHEMBL857338 0.62 POLB (0.37) ALDH1A1CYP19A1ESR1ESR2

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 KDM4E 3382/4885ALDH1A1 1104/4885CYP17A1 2151/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 KDM4E 3869/4885ALDH1A1 2177/4885CYP17A1 1475/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 KDM4E 3887/4885ALDH1A1 595/4885CYP17A1 1686/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 KDM4E 3452/4885ALDH1A1 1294/4885CYP17A1 2450/4885

“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.