SCHEMBL6803586

SCHEMBL6803586

CC1(C)CCC(=O)c2c1oc(Br)c2-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.33
TYMP P19971 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 4/20 0.32
SIGMAR1 Q99720 3/20 0.32
RAB9A P51151 2/20 0.32
DRD2 P14416 1/20 0.32
PDGFRA P16234 1/20 0.32
MAPK8 P45983 1/20 0.32
CDK5 Q00535 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BRD4 O60885 2/20 0.31

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
SCHEMBL6804850 0.78 MAPK14 (0.38) ALDH1A1HPGDSMN1; SMN2NPSR1RAB9A
SCHEMBL6799522 0.75
SCHEMBL6804026 0.72 ALDH1A1 (0.33) NFE2L2ALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL6804600 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6809044 0.64 KMT2A (0.38) ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL20001492 0.63 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2RAB9ADRD2
SCHEMBL7480513 0.63 ATM (0.41) ALDH1A1HPGDNPSR1LMNARAB9A
SCHEMBL4273428 0.62 SIGMAR1 (0.38) ALDH1A1HPGDSMN1; SMN2NPSR1LMNA
SCHEMBL30205839 0.61 CYP2A6 (0.39) ALDH1A1SMN1; SMN2NPSR1LMNARAB9A
SCHEMBL1119749 0.61 CYP2A6 (0.39) ALDH1A1SMN1; SMN2NPSR1LMNARAB9A

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 NFE2L2 632/4885TYMP 4089/4885ALDH1A1 789/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 NFE2L2 800/4885TYMP 3775/4885ALDH1A1 729/4885

“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.