SCHEMBL4270146

SCHEMBL4270146

C=C1CC(C)(C)C(c2ccc3ccccc3n2)=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.38
RAB9A P51151 12/20 0.38
SMN1; SMN2 Q16637 8/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 3/20 0.37
MAPT P10636 8/20 0.36
KDM4E B2RXH2 9/20 0.36
HTT P42858 2/20 0.36
CYP3A4 P08684 4/20 0.36
AR P10275 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 7/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL4270352 0.76 RAB9A (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4274384 0.75 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4274402 0.73 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL4272319 0.72 PTPN1 (0.41) SMN1; SMN2POLBCYP1A2MAPTKDM4E
SCHEMBL4269171 0.70 CHRM1 (0.31)
SCHEMBL4270358 0.70 NPC1 (0.38) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4277359 0.66 ALDH1A1 (0.36) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL4271550 0.66 MAPK1 (0.36) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL170196 0.64 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29374931 0.64 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 2728/4885SMN1; SMN2 4774/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 NPC1 2929/4885RAB9A 4227/4885SMN1; SMN2 2700/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 NPC1 4264/4885RAB9A 2415/4885SMN1; SMN2 4786/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 NPC1 4584/4885RAB9A 2832/4885SMN1; SMN2 4800/4885

“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.