SCHEMBL4274402

SCHEMBL4274402

C=C1CC(C)(C)C(c2ccccc2)=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 2/20 0.37
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP19A1 P11511 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
BRD4 O60885 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EGFR P00533 1/20 0.31
HK2 P52789 1/20 0.31
DRD2 P14416 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CFTR P13569 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
SCHEMBL31678744 0.78 NPC1 (0.51) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL4272319 0.75 PTPN1 (0.41) HPGDALDH1A1MAOAMAOBALOX5
SCHEMBL4271550 0.74 MAPK1 (0.36) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL4269522 0.74 CYP19A1 (0.36) NPC1RAB9AHPGDALDH1A1CYP19A1
SCHEMBL4270146 0.73 NPC1 (0.38) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL4270178 0.72 MAOA (0.37) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL4267445 0.67 NISCH (0.33) ALDH1A1BRD4
SCHEMBL4270412 0.67 GABRA1 (0.36)
SCHEMBL4272308 0.66 CYP19A1 (0.33) CYP19A1
SCHEMBL4275369 0.66 CYP19A1 (0.33) 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 NPC1 4647/4885RAB9A 2728/4885HPGD 425/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 NPC1 2929/4885RAB9A 4227/4885HPGD 4308/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 NPC1 4264/4885RAB9A 2415/4885HPGD 467/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 NPC1 4584/4885RAB9A 2832/4885HPGD 435/4885

“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.