SCHEMBL4265775

SCHEMBL4265775

CC1(C)CCC(=O)C=C1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 2/20 0.33
CYP19A1 P11511 12/20 0.32
LMNA P02545 3/20 0.31
SHBG P04278 2/20 0.31
SERPINA6 P08185 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B3 P37058 2/20 0.31
SNCA P37840 2/20 0.31
BLM P54132 2/20 0.31
PMP22 Q01453 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL4269256 0.80 POLB (0.37) POLBALDH1A1CYP3A4CYP19A1LMNA
SCHEMBL857338 0.70 POLB (0.37) POLBALDH1A1CYP3A4CYP19A1LMNA
SCHEMBL4281037 0.69 POLB (0.48) POLBALDH1A1CYP3A4CYP19A1LMNA
SCHEMBL6432193 0.68 POLB (0.36) POLBALDH1A1CYP3A4CYP19A1LMNA
SCHEMBL15426909 0.68 LMNA (0.40) POLBALDH1A1CYP3A4CYP19A1LMNA
SCHEMBL7620452 0.67 POLB (0.39) POLBALDH1A1CYP3A4CYP19A1LMNA
SCHEMBL4270291 0.67 POLB (0.46) POLBCYP19A1LMNAESR1ESR2
SCHEMBL4268009 0.65 POLB (0.44) POLBCYP19A1
SCHEMBL4265391 0.65 CYP19A1 (0.33) CYP19A1AR
SCHEMBL4281049 0.65 POLB (0.35) POLBALDH1A1CYP3A4CYP19A1LMNA

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 POLB 3064/4885ALDH1A1 1104/4885CYP3A4 2655/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 POLB 97/4885ALDH1A1 2177/4885CYP3A4 3592/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 POLB 2724/4885ALDH1A1 595/4885CYP3A4 1990/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 POLB 2907/4885ALDH1A1 1294/4885CYP3A4 2432/4885

“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.