SCHEMBL6804005

SCHEMBL6804005

CC(=O)c1c(C)coc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 4/20 0.38
NR4A2 P43354 2/20 0.38
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
ADORA2A P29274 1/20 0.37
PTGS1 P23219 1/20 0.36

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
SCHEMBL6809056 0.87 ALDH1A1 (0.47) KDM4EKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL6800296 0.77 ALDH1A1 (0.40) KDM4EKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL14788639 0.72 ALDH1A1 (0.62) KDM4EKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL27987065 0.71 NQO1 (0.42) MAPTALDH1A1POLBHPGDLMNA
SCHEMBL31456561 0.70 ALDH1A1 (0.66) KDM4EKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL12755569 0.70 MAPT (0.50) KDM4EKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL280169 0.70 MAPT (0.50) KDM4EKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL4676416 0.70 PTGS1 (0.53) KDM4EKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL183194 0.70 RAB9A (0.42) KDM4EKMT2AMAPTALDH1A1HPGD
SCHEMBL2379485 0.69 SMN1; SMN2 (0.52) KDM4EKMT2ASMN1; SMN2MAPTALDH1A1

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 KDM4E 4616/4885KMT2A 4178/4885SMN1; SMN2 3438/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 KDM4E 4610/4885KMT2A 4224/4885SMN1; SMN2 3340/4885

“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.