SCHEMBL4622623

SCHEMBL4622623

CC(C)(O)C1=COC(Cc2ccccc2)O1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CTRB1 P17538 1/20 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
SCHEMBL4622619 0.79 ERCC5 (0.33) TRPA1KMT2A
SCHEMBL6404388 0.78 NR3C1 (0.36)
SCHEMBL6404843 0.76 NR1H2 (0.32)
SCHEMBL3972137 0.74 CTRB1 (0.35) CTRB1
SCHEMBL746094 0.74 CTRB1 (0.35) CTRB1
SCHEMBL4622988 0.73 L3MBTL1 (0.40) KMT2A
SCHEMBL16398868 0.73 TP53 (0.41) CTRB1
SCHEMBL7703226 0.71 KDM4E (0.35) TAAR1CTRB1
SCHEMBL6076922 0.71 TSHR (0.40) CTRB1
SCHEMBL5776726 0.71 TSHR (0.38) KMT2A

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
EP-1902049-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP disclosed
US-20070010514-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-11 US disclosed
WO-2006136461-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed
US-7112584-B2 Nonsteroidal antiinflammatory agents SCHERING AG (DE) 2006-09-26 US disclosed
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 US disclosed
US-20040209875-A1 Nonsteroidal antiinflammatory agents SCHERIN AKTIENGESELLSCHAFT (DE) 2004-10-21 US 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 (3 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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 TRPA1 300/4885KMT2A 4724/4885SLC6A2 4254/4885
US-20070010514-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, CYP19A1 TRPA1 1711/4885KMT2A 1743/4885SLC6A2 4700/4885
US-20040209875-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES TRPA1 582/4885KMT2A 4244/4885SLC6A2 3939/4885

“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.