SCHEMBL6406067

SCHEMBL6406067

O=C(O)C1Cc2ccccc2OC1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
AOC2 O75106 5/20 0.38
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DAO P14920 1/20 0.38
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
HSP90AB1 P08238 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
DYRK1A Q13627 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL6412064 1.00 HPGD (0.40) HPGDTSHRSMN1; SMN2AOC2MAOA
SCHEMBL31646098 0.87 AOC2 (0.40) HPGDTSHRAOC2MAOAMAOB
SCHEMBL6405687 0.84 HRH3 (0.42) MEN1KMT2AMMP3MMP8GAA
SCHEMBL6403861 0.84 HRH3 (0.42) MEN1KMT2AMMP3MMP8GAA
SCHEMBL6406846 0.84 MMP3 (0.40) MMP3MMP8
SCHEMBL6405230 0.84 MMP3 (0.40) MMP3MMP8
SCHEMBL6409720 0.83 POLB (0.45) HPGDSMN1; SMN2MEN1KMT2AMMP3
SCHEMBL6409885 0.83 POLB (0.45) HPGDSMN1; SMN2MEN1KMT2AMMP3
SCHEMBL6405989 0.82 NPC1 (0.42) HPGDTSHRSMN1; SMN2MAPT
SCHEMBL6405818 0.82 NPC1 (0.42) HPGDTSHRSMN1; SMN2MAPT

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 5 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
EP-1274700-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS Pharmacia Corporation (US) 2003-01-15 EP disclosed
WO-2001049675-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2001-07-12 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 (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 HPGD 22/4885TSHR 1614/4885SMN1; SMN2 1939/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 HPGD 27/4885TSHR 1759/4885SMN1; SMN2 2327/4885

“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.