SCHEMBL6802826

SCHEMBL6802826

Cc1coc2c1C(=O)C(C)(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 5/20 0.40
SUZ12 Q15022 5/20 0.40
EZH2 Q15910 5/20 0.40
CES1 P23141 2/20 0.40
HIF1A Q16665 2/20 0.40
EPAS1 Q99814 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CES2 O00748 1/20 0.40
APAF1 O14727 1/20 0.40
TERT O14746 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL19320719 0.77 NTRK3 (0.34)
SCHEMBL16931077 0.77 IDO1 (0.35) IDO1
SCHEMBL19140012 0.73 PIK3C3 (0.35) EEDSUZ12EZH2HIF1AEPAS1
SCHEMBL6802902 0.71 EED (0.40) EEDSUZ12EZH2CES1HIF1A
SCHEMBL266599 0.68 ALDH1A1 (0.47) EEDSUZ12EZH2CES1HIF1A
SCHEMBL6802918 0.67
SCHEMBL14628082 0.66 TDP1 (0.50) ALDH1A1KDM4EMEN1LMNATP53
SCHEMBL14430353 0.66 HSD17B10 (0.36) ALDH1A1KDM4EPOLBMAPTALOX12
SCHEMBL2471020 0.64 ROCK2 (0.38)
SCHEMBL3859660 0.60

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 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 (2 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-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR EED 3732/4885SUZ12 2576/4885EZH2 3002/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 EED 3668/4885SUZ12 2217/4885EZH2 2814/4885

“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.