SCHEMBL6777433

SCHEMBL6777433

COc1cccc2c(O)c(-c3ccccc3)ncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.48
IDO1 P14902 1/20 0.48
HSP90AA1 P07900 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
KMT2A Q03164 2/20 0.42
SMPD3 Q9NY59 4/20 0.42
WHR1 P49842 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
NOX1 Q9Y5S8 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4077902 0.76 CA12 (0.46) TDO2IDO1KMT2AALDH1A1LMNA
SCHEMBL4077907 0.74 CA12 (0.40) TDO2IDO1KMT2AALDH1A1LMNA
SCHEMBL6777206 0.71 NPC1 (0.55) TDO2IDO1HSP90AA1CTDSP1ALDH1A1
SCHEMBL6779688 0.71 ALDH1A1 (0.46) TDO2IDO1KMT2ASMPD3WHR1
SCHEMBL13313198 0.70 ADORA2A (0.51) WHR1ALDH1A1LMNAKDM4EGAA
Hydrochloric Acid SCHEMBL6542516 0.69 TDO2 (0.53) TDO2IDO1KMT2ASMPD3ALDH1A1
SCHEMBL10613423 0.68 GRM5 (0.44) TDO2IDO1KMT2AALDH1A1LMNA
SCHEMBL30081970 0.68 TDO2 (0.69) TDO2IDO1ALDH1A1LMNAGAA
SCHEMBL16098147 0.67 CTDSP1 (0.51) TDO2IDO1CTDSP1KMT2AWHR1
SCHEMBL12851816 0.67 MAPT (0.48) KMT2AALDH1A1LMNAKDM4EGAA

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 TDO2 1098/4885IDO1 66/4885HSP90AA1 550/4885

“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.