SCHEMBL6542571

SCHEMBL6542571

COC(=O)c1cc(-c2ncc3c(OC)c(OC)ccc3c2O)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 12/20 0.39
IDO1 P14902 10/20 0.39
KMT2A Q03164 1/20 0.39
DHODH Q02127 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MTOR P42345 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
NEK2 P51955 1/20 0.36
EGFR P00533 1/20 0.36
PTK2 Q05397 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
Hydrochloric Acid SCHEMBL6542560 0.99 KMT2A (0.39) TDO2IDO1KMT2ADHODHMAPT
Hydrochloric Acid SCHEMBL6542516 0.78 TDO2 (0.53) TDO2IDO1KMT2AMAPTKDM4E
SCHEMBL18512081 0.69 PDE10A (0.46) DHODHMAPTKDM4EPOLB
SCHEMBL1434290 0.68 MAPT (0.71) MAPTTDP1KDM4EPOLB
SCHEMBL412162 0.67 NR4A2 (0.57) KMT2ADHODHMAPTKDM4EPOLB
SCHEMBL30159704 0.66 KDM4E (0.46) KMT2ADHODHMAPTTDP1KDM4E
SCHEMBL28669617 0.66 KDM4E (0.46) KMT2ADHODHMAPTTDP1KDM4E
SCHEMBL7619139 0.66 CA12 (0.67) KMT2AMAPTTDP1KDM4EPOLB
SCHEMBL31009365 0.66 CA12 (0.67) KMT2AMAPTTDP1KDM4EPOLB
SCHEMBL31042567 0.66 SLC6A4 (0.54) KMT2AMAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324994-A4 TRICYCLIC COMPOUNDS AND USES THEREOF CALYX THERAPEUTICS INC (US) 2004-06-16 EP claimed
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
EP-1324994-A2 TRICYCLIC COMPOUNDS AND USES THEREOF Calyx Therapeutics, Inc. (US) 2003-07-09 EP claimed
US-20020077333-A1 Tricyclic compounds and uses thereof THERACOS, INC. 2002-06-20 US claimed
WO-2002030888-A2 TRICYCLIC COMPOUNDS AND USES THEREOF CALYX THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
EP-1324994-A4 TRICYCLIC COMPOUNDS AND USES THEREOF CALYX THERAPEUTICS INC (US) 2004-06-16 EP disclosed
EP-1324994-A2 TRICYCLIC COMPOUNDS AND USES THEREOF Calyx Therapeutics, Inc. (US) 2003-07-09 EP disclosed
WO-2002030888-A2 TRICYCLIC COMPOUNDS AND USES THEREOF CALYX THERAPEUTICS, INC. (US) 2002-04-18 WO 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 (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 66/4885KMT2A 3251/4885

“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.