SCHEMBL6409720

SCHEMBL6409720

O=C(O)[C@@H]1Cc2cc3ccccc3cc2O[C@@H]1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CASP6 P55212 1/20 0.45
HIF1A Q16665 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6409885 1.00 POLB (0.45) POLBCASP6HIF1ATDP1KDM4E
SCHEMBL6412064 0.83 HPGD (0.40) HPGDSMN1; SMN2MEN1KMT2AMMP3
SCHEMBL6406067 0.83 HPGD (0.40) HPGDSMN1; SMN2MEN1KMT2AMMP3
SCHEMBL6405687 0.82 HRH3 (0.42) TDP1KDM4EMEN1KMT2AMMP3
SCHEMBL6405230 0.82 MMP3 (0.40) RXRARXRBRXRGRARARARB
SCHEMBL6403861 0.82 HRH3 (0.42) TDP1KDM4EMEN1KMT2AMMP3
SCHEMBL6406846 0.82 MMP3 (0.40) RXRARXRBRXRGRARARARB
SCHEMBL6405296 0.81 PPARG (0.39)
SCHEMBL6408673 0.81 ALOX5 (0.44) SLC8A1
SCHEMBL6409847 0.81 PPARG (0.39)

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 POLB 2633/4885CASP6 3431/4885HIF1A 813/4885

“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.