SCHEMBL6405633

SCHEMBL6405633

O=C(O)C1Cc2cc(CO)ccc2OC1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
FFAR1 O14842 3/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
DRD5 P21918 1/20 0.33
P2RY6 Q15077 1/20 0.33
FFAR4 Q5NUL3 5/20 0.32
TBXA2R P21731 1/20 0.32
TP53 P04637 1/20 0.32
GRIA2 P42262 1/20 0.31
HTR2A P28223 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL6407883 1.00 CYP4F2 (0.41) CYP4F2CYP4A11TDP1PTGS1PTGS2
SCHEMBL6407106 0.82 PNMT (0.37) TDP1PTGS1PTGS2FFAR1DRD5
SCHEMBL6410811 0.82 TDP1 (0.37) TDP1PTGS1PTGS2FFAR1FFAR4
SCHEMBL6407885 0.82 PTGS1 (0.44) TDP1PTGS1PTGS2FFAR1FFAR4
SCHEMBL6412199 0.82 GLS (0.38) TDP1FFAR1POLBP2RY6FFAR4
SCHEMBL6410893 0.82 GLS (0.38) TDP1FFAR1POLBP2RY6FFAR4
SCHEMBL6404285 0.82 PTGS2 (0.44) TDP1PTGS1PTGS2POLBDRD5
SCHEMBL6405425 0.82 PTGS2 (0.44) TDP1PTGS1PTGS2FFAR4
SCHEMBL6406723 0.82 PTGS2 (0.44) TDP1PTGS1PTGS2POLBDRD5
SCHEMBL6406365 0.82 PTGS2 (0.44) TDP1PTGS1PTGS2FFAR4

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 CYP4F2 94/4885CYP4A11 351/4885TDP1 1920/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 CYP4F2 103/4885CYP4A11 386/4885TDP1 1068/4885

“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.