SCHEMBL6407324

SCHEMBL6407324

O=C(O)C1Cc2cc(C#Cc3ccccc3)ccc2OC1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.42
P2RY6 Q15077 3/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
OPRM1 P35372 1/20 0.38
GRM5 P41594 5/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HNF4A P41235 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
PTPN1 P18031 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6408575 1.00 FFAR1 (0.42) FFAR1P2RY6ADRA2AADRA2BADRA2C
SCHEMBL6406175 0.85 PTGS2 (0.47) FFAR1P2RY6ADRA2AADRA2BADRA2C
SCHEMBL6407893 0.85 PTGS2 (0.47) FFAR1P2RY6ADRA2AADRA2BADRA2C
SCHEMBL6409858 0.85 PTGS2 (0.47) P2RY6PTGS1PTGS2TDP1
SCHEMBL6405841 0.85 PTGS2 (0.47) P2RY6PTGS1PTGS2TDP1
SCHEMBL6403861 0.81 HRH3 (0.42) FFAR1FFAR4TDP1
SCHEMBL6405687 0.81 HRH3 (0.42) FFAR1FFAR4TDP1
SCHEMBL6412064 0.81 HPGD (0.40)
SCHEMBL6406067 0.81 HPGD (0.40)
SCHEMBL6405818 0.80 NPC1 (0.42) FFAR4TDP1

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 FFAR1 1472/4885P2RY6 1068/4885ADRA2A 426/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 FFAR1 1180/4885P2RY6 1351/4885ADRA2A 555/4885

“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.