SCHEMBL6407825

SCHEMBL6407825

CCc1ccc2c(c1)OC(C(F)(F)F)C(C(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.33
KDM1A O60341 1/20 0.33
HIF1A Q16665 1/20 0.33
TP53 P04637 2/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
HSD17B4 P51659 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
PDK2 Q15119 1/20 0.31
GRIK2 Q13002 1/20 0.31

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
SCHEMBL6410824 1.00 PTGS1 (0.44) PTGS1PTGS2ALDH1A1HTTKDM1A
SCHEMBL6408200 0.83 PTGS2 (0.41) PTGS1PTGS2TP53HSD17B1HSD17B2
SCHEMBL6405279 0.83 PTGS2 (0.41) PTGS1PTGS2TP53HSD17B1HSD17B2
SCHEMBL6407849 0.83 CA12 (0.36) PTGS1PTGS2ALDH1A1TP53
SCHEMBL6403423 0.83 CA12 (0.36) PTGS1PTGS2ALDH1A1TP53
SCHEMBL6405304 0.81 LTB4R (0.37) PTGS1PTGS2ALDH1A1HTTLTB4R
SCHEMBL6406400 0.81 LTB4R (0.37) PTGS1PTGS2ALDH1A1HTTLTB4R
SCHEMBL6410823 0.81 ADRA2A (0.38) PTGS2KDM1AHIF1A
SCHEMBL6409871 0.81 ADRA2A (0.38) PTGS2KDM1AHIF1A
SCHEMBL6404648 0.81 PTGS2 (0.41) PTGS1PTGS2

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 1/4885ALDH1A1 112/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS1 2/4885PTGS2 1/4885ALDH1A1 113/4885

“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.