SCHEMBL6796539

SCHEMBL6796539

CCc1coc2c1C(=O)CCC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.33
POR P16435 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CES2 O00748 1/20 0.30
APAF1 O14727 1/20 0.30
TERT O14746 1/20 0.30
EED O75530 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
AKR1B1 P15121 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CES1 P23141 1/20 0.30
APEX1 P27695 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
SCHEMBL6802902 0.79 EED (0.40) NQO1PORIDO1TDO2KDM4E
SCHEMBL16931511 0.74 IDO1 (0.35) IDO1PIK3R1PIK3CA
SCHEMBL16931119 0.74 MAOB (0.41) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL6804026 0.72 ALDH1A1 (0.33) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL6804600 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL19568230 0.67 ALDH1A1 (0.40) NQO1PORALDH1A1HPGD
SCHEMBL4521676 0.65 RXRA (0.34) ALDH1A1LMNAHIF1AEPAS1
SCHEMBL6804354 0.64 KDM4E (0.32) KDM4E
SCHEMBL4511609 0.63 ALDH1A1 (0.36) ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL4512795 0.62 PDK2 (0.30)

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 NQO1 893/4885POR 542/4885IDO1 1097/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 NQO1 916/4885POR 494/4885IDO1 1104/4885

“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.