SCHEMBL4276971

SCHEMBL4276971

CCCCCOC1CC(=O)C=CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
LMNA P02545 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
NPC1 O15118 1/20 0.32
CYP19A1 P11511 4/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSTA2 P09210 2/20 0.31
GSTP1 P09211 2/20 0.31
GSTM1 P09488 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL4279220 0.98 GBA1 (0.37) GBA1LMNAPPARGPPARDPPARA
SCHEMBL4266512 0.72 CYP2C19 (0.40) CYP19A1ALDH1A1POLBL3MBTL1
SCHEMBL4281032 0.71 TDP1 (0.41) CYP19A1ALDH1A1POLBL3MBTL1
SCHEMBL10715486 0.71 PPARG (0.38) GBA1LMNAPPARGPPARDPPARA
SCHEMBL4274528 0.71 CYP3A4 (0.38) LMNACYP19A1THRBALDH1A1TP53
SCHEMBL4268262 0.69 PPARG (0.34) GBA1LMNAPPARGPPARDPPARA
SCHEMBL4273300 0.68 CYP17A1 (0.36) CYP19A1POLBCYP3A4
SCHEMBL7776024 0.68 GBA1 (0.38) GBA1LMNATHRATHRBALDH1A1
SCHEMBL4273611 0.68 PPARG (0.36) GBA1LMNAPPARGPPARDPPARA
SCHEMBL19599990 0.67 NPC1 (0.36) LMNANPC1CYP19A1POLBTP53

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 GBA1 3216/4885LMNA 4388/4885PPARG 3561/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 GBA1 1714/4885LMNA 997/4885PPARG 2209/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 GBA1 2368/4885LMNA 4495/4885PPARG 3228/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 GBA1 3705/4885LMNA 4359/4885PPARG 3227/4885

“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.