SCHEMBL6409871

SCHEMBL6409871

O=C(O)C1Cc2ccc(Br)cc2OC1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
PNMT P11086 1/20 0.38
AKR1B1 P15121 1/20 0.33
ABHD6 Q9BV23 3/20 0.33
P2RY6 Q15077 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
PBRM1 Q86U86 1/20 0.31
HIF1A Q16665 1/20 0.31
PTGS2 P35354 1/20 0.31
GRK2 P25098 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SRD5A1 P18405 1/20 0.30
SRD5A2 P31213 1/20 0.30
KDM1A O60341 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
SCHEMBL6410823 1.00 ADRA2A (0.38) ADRA2APNMTAKR1B1ABHD6P2RY6
SCHEMBL6410893 0.89 GLS (0.38) ADRA2APNMTAKR1B1ABHD6P2RY6
SCHEMBL6412199 0.89 GLS (0.38) ADRA2APNMTAKR1B1ABHD6P2RY6
SCHEMBL6406269 0.84 PTGS2 (0.41) PNMTAKR1B1P2RY6PTGS2
SCHEMBL6408200 0.84 PTGS2 (0.41) AKR1B1PTGS2
SCHEMBL6408643 0.84 PTGS1 (0.41) PNMTPTGS2
SCHEMBL6404648 0.84 PTGS2 (0.41) PNMTAKR1B1P2RY6PTGS2
SCHEMBL6405279 0.84 PTGS2 (0.41) AKR1B1PTGS2
SCHEMBL6404784 0.82 FFAR4 (0.36) P2RY6TDP1
SCHEMBL6405578 0.82 FFAR4 (0.36) P2RY6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 US disclosed
US-6822102-B2 COMPOUNDS SUCH AS (2S,3R)-6,8-DICHLORO-3,4-DIHYDRO-2-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-3 -CARBOXYLIC ACID, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC, ANTICARCINOGENIC AGENTS OR ANALGESICS PHARMACIA CORPORATION 2004-11-23 US disclosed
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PHARMACIA CORPORATION 2003-12-18 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 (2 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 ADRA2A 426/4885PNMT 2278/4885AKR1B1 102/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 ADRA2A 555/4885PNMT 1854/4885AKR1B1 150/4885

“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.