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SCHEMBL6408643

SCHEMBL6408643

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PNMT P11086 3/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ GRM3 Q14832 1/20 0.34
▸ AADAT Q8N5Z0 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.33
▸ FFAR1 O14842 1/20 0.33

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
SCHEMBL6406400 0.90 LTB4R (0.37) PTGS1PTGS2LMNAALDH1A1LTB4R
SCHEMBL6405304 0.90 LTB4R (0.37) PTGS1PTGS2LMNAALDH1A1LTB4R
SCHEMBL6407208 0.89 PTGS1 (0.44) PTGS1PTGS2LMNAMAPTPNMT
SCHEMBL6407885 0.89 PTGS1 (0.44) PTGS1PTGS2LMNAMAPTPNMT
SCHEMBL6406518 0.85 LTB4R (0.36) PTGS1PTGS2LTB4RLTB4R2
SCHEMBL6405435 0.85 LTB4R (0.36) PTGS1PTGS2LTB4RLTB4R2
SCHEMBL6405279 0.84 PTGS2 (0.41) PTGS1PTGS2LMNAMAPTTHRB
SCHEMBL6404648 0.84 PTGS2 (0.41) PTGS1PTGS2PNMT
SCHEMBL6410823 0.84 ADRA2A (0.38) PTGS2PNMT
SCHEMBL6408200 0.84 PTGS2 (0.41) PTGS1PTGS2LMNAMAPTTHRB

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 PTGS1 5/4885PTGS2 1/4885LMNA 3616/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS1 2/4885PTGS2 1/4885LMNA 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.