SCHEMBL6779688

SCHEMBL6779688

COc1cccc2c(C)nc(-c3ccccc3)c(O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMPD3 Q9NY59 3/20 0.45
PPARG P37231 2/20 0.44
RXRA P19793 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
TDO2 P48775 2/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
PDE10A Q9Y233 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL17942872 0.78 ALDH1A1 (0.44) ALDH1A1HPGDUSP2HSD17B10L3MBTL1
SCHEMBL28426573 0.78 ALDH1A1 (0.44) ALDH1A1HPGDUSP2HSD17B10L3MBTL1
SCHEMBL6777433 0.71 TDO2 (0.48) ALDH1A1HPGDHSD17B10SMPD3TDO2
SCHEMBL5214215 0.69 GPR3 (0.53) ALDH1A1HPGDUSP2HSD17B10LMNA
SCHEMBL28351889 0.69 DCPS (0.54) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL17942699 0.69 ALDH1A1 (0.59) ALDH1A1HPGDUSP2HSD17B10L3MBTL1
SCHEMBL28390368 0.66 MAOA (0.45) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL9657031 0.66 PPARG (0.47) ALDH1A1HPGDHSD17B10L3MBTL1PPARG
SCHEMBL1635171 0.66 KDM4E (0.54) ALDH1A1HPGDHSD17B10LMNAGAA
SCHEMBL18387257 0.66 POLB (0.43) ALDH1A1HSD17B10L3MBTL1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723736-B2 FOR THERAPY INFLAMMATION, INFLAMMATORY DISEASES, IMMUNOLOGIC DISEASES AND OTHER DISEASES MEDIATED BY TUMOR NECROSIS FACTOR-ALPHA (TNF-ALPHA) AND/OR INTERLEUKIN 6 OR 10 AND/OR ENZYME CYCLOOXYGENASE-2 (COX-2) THERACOS, INC. 2004-04-20 US claimed
US-20020077333-A1 Tricyclic compounds and uses thereof THERACOS, INC. 2002-06-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020077333-A1 Tricyclic compounds and uses thereof IL6, TNF, IL2 ALDH1A1 1436/4885HPGD 74/4885USP2 1591/4885

“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.