SCHEMBL6804026

SCHEMBL6804026

CC1(C)CCC(=O)c2c(-c3ccccc3)coc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
HPGD P15428 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KCNA3 P22001 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TP53 P04637 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PTPN1 P18031 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32

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 0.74 EED (0.40) ALDH1A1HPGDKDM4ETP53MAPT
SCHEMBL16931511 0.73 IDO1 (0.35) PIK3R1PIK3CA
SCHEMBL6803586 0.72 NFE2L2 (0.33) ALDH1A1SMN1; SMN2HPGDNPSR1NPC1
SCHEMBL6796539 0.72 NQO1 (0.33) ALDH1A1HPGDKDM4ETP53MAPT
SCHEMBL6804850 0.70 MAPK14 (0.38) ALDH1A1SMN1; SMN2HPGDNPSR1NPC1
SCHEMBL16931119 0.64 MAOB (0.41) ALDH1A1SMN1; SMN2HPGDKDM4ETP53
SCHEMBL7480513 0.64 ATM (0.41) ALDH1A1HPGDNPSR1NPC1RAB9A
SCHEMBL11776755 0.63 MAPT (0.44) ALDH1A1SMN1; SMN2HPGDNPSR1NPC1
SCHEMBL1119749 0.62 CYP2A6 (0.39) ALDH1A1SMN1; SMN2NPSR1RAB9AKDM4E
SCHEMBL30205839 0.62 CYP2A6 (0.39) ALDH1A1SMN1; SMN2NPSR1RAB9AKDM4E

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 ALDH1A1 789/4885SMN1; SMN2 3438/4885HPGD 1176/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 ALDH1A1 729/4885SMN1; SMN2 3340/4885HPGD 1006/4885

“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.