SCHEMBL6404641

SCHEMBL6404641

O=C(O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N[C@@H]1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
AADAT Q8N5Z0 1/20 0.36
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NOTUM Q6P988 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP2 O95551 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 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
SCHEMBL6405319 1.00 PNMT (0.40) PNMTMAPTLMNAAADATLIPC
SCHEMBL6405243 0.84 PNMT (0.40) PNMTMAPTGAA
SCHEMBL6406397 0.84 PNMT (0.40) PNMTMAPTGAAKDM4EALDH1A1
SCHEMBL6409015 0.84 PNMT (0.40) PNMTMAPTGAAKMT2A
SCHEMBL6409652 0.84 PNMT (0.40) PNMTMAPTGAAKMT2A
SCHEMBL6405280 0.84 PNMT (0.40) PNMTMAPTGAAKDM4EALDH1A1
SCHEMBL6407971 0.84 PNMT (0.40) PNMTMAPTGAA
SCHEMBL6405219 0.81 PTGS1 (0.37) PNMTMAPTGAA
SCHEMBL6410256 0.81 APAF1 (0.34) MAPTGAAALDH1A1
SCHEMBL6409160 0.81 BCL2L1 (0.45) HDAC8NOTUMFFAR4GAAALDH1A1

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-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
EP-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 EP 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 PNMT 2278/4885MAPT 3839/4885LMNA 3616/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PNMT 1854/4885MAPT 3684/4885LMNA 4112/4885

“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.