SCHEMBL4267338

SCHEMBL4267338

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.36
DNTT P04053 2/20 0.35
POLB P06746 1/20 0.35
POLA1 P09884 1/20 0.35
PPARG P37231 3/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TSHR P16473 2/20 0.34
GBA1 P04062 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.34
GSTA2 P09210 2/20 0.33
GSTP1 P09211 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GSTM1 P09488 1/20 0.33
FAAH O00519 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4272133 0.98 DNTT (0.37) CYP19A1DNTTPOLBPOLA1PPARG
SCHEMBL4272079 0.75 CYP19A1 (0.43) CYP19A1DNTTPOLBPOLA1CYP3A4
SCHEMBL10831056 0.74 PPARG (0.38) PPARGPPARDPPARATSHRGBA1
SCHEMBL4264750 0.74 CYP19A1 (0.41) CYP19A1DNTTPOLBPOLA1
SCHEMBL4281134 0.71 CYP19A1 (0.36) CYP19A1DNTTPOLBPOLA1TSHR
SCHEMBL4271382 0.70 CYP19A1 (0.38) CYP19A1CYP3A4
SCHEMBL896961 0.69 GBA1 (0.41) TSHRGBA1TP53CYP3A4MAPK1
SCHEMBL4273415 0.68 CYP19A1 (0.40) CYP19A1POLBTSHRCYP3A4
SCHEMBL4276971 0.67 GBA1 (0.34) CYP19A1POLBPPARGPPARDPPARA
SCHEMBL4279220 0.66 GBA1 (0.37) POLBPPARGPPARDPPARATSHR

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 2046/4885DNTT 4026/4885POLB 3064/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 CYP19A1 293/4885DNTT 2361/4885POLB 97/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 CYP19A1 1601/4885DNTT 3506/4885POLB 2724/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 CYP19A1 2309/4885DNTT 3790/4885POLB 2907/4885

“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.