SCHEMBL6076922

SCHEMBL6076922

OCC1=COC(Cc2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.33
CTRB1 P17538 1/20 0.33
FASN P49327 1/20 0.33
MMP9 P14780 1/20 0.32
GRM2 Q14416 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
GBA1 P04062 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL16398956 0.86 TDP1 (0.44) TSHRTDP1CTRB1FASNMMP9
SCHEMBL17512439 0.84 CALM1 (0.39) CTRB1FASNMMP9GRM2GBA1
SCHEMBL16398868 0.84 TP53 (0.41) CTRB1FASN
SCHEMBL699638 0.82 CTRB1 (0.33) CTRB1FASNGRM2GBA1F2
SCHEMBL1698739 0.81 AKR1B1 (0.46) TSHRCTRB1LTB4RLTB4R2
SCHEMBL3696640 0.80 TRPA1 (0.39)
SCHEMBL3699551 0.80 TRPA1 (0.39)
SCHEMBL2785355 0.80 TRPA1 (0.39)
SCHEMBL3392333 0.79 FASN (0.34) CTRB1FASN
SCHEMBL632476 0.79 HTR2A (0.44) FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112584-B2 Nonsteroidal antiinflammatory agents SCHERING AG (DE) 2006-09-26 US disclosed
EP-1572671-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2005-09-14 EP disclosed
US-20040209875-A1 Nonsteroidal antiinflammatory agents SCHERIN AKTIENGESELLSCHAFT (DE) 2004-10-21 US disclosed
WO-2004058733-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 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-20040209875-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES TSHR 3390/4885TDP1 1344/4885CTRB1 338/4885

“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.