SCHEMBL5651250

SCHEMBL5651250

CC(C)(C#N)c1ccc(C=O)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.45
TRIM24 O15164 2/20 0.45
TRIM33 Q9UPN9 2/20 0.45
SCN10A Q9Y5Y9 1/20 0.40
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
ERN1 O75460 5/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL307932 0.83 ALDH1A1 (0.39) TYRSCN10AALDH1A1ERN1SMN1; SMN2
SCHEMBL1527058 0.80 ALDH1A1 (0.57) TYRTRIM24TRIM33ALDH1A1HPGD
SCHEMBL5643460 0.79 TYR (0.50) TYRTRIM24TRIM33ALDH1A1HPGD
SCHEMBL1743976 0.78 ALDH1A1 (0.59) SCN10AALDH1A1HPGDALOX15HSD17B10
SCHEMBL29406501 0.75 ALDH1A1 (0.42) SCN10AALDH1A1ALOX15HSD17B10TDP1
SCHEMBL5643937 0.75 TYR (0.46) TYRTRIM24TRIM33ALDH1A1HPGD
SCHEMBL6105846 0.75 CNR1 (0.51) TYRTRIM24TRIM33ALDH1A1HPGD
SCHEMBL7587116 0.74 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10TDP1PRKDC
SCHEMBL537374 0.73 POLB (0.56) TYRTRIM24TRIM33PIK3CDPIK3CA
SCHEMBL5645422 0.72 CNR1 (0.47) TYRTRIM24TRIM33ESR1ESR2

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-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 TYR 488/4885TRIM24 3213/4885TRIM33 3760/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES TYR 496/4885TRIM24 3411/4885TRIM33 4224/4885

“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.