SCHEMBL5648495

SCHEMBL5648495

CC(C)CN(C(=O)OC(C)(C)C)c1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.48
ITGA4 P13612 2/20 0.48
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.39
NQO2 P16083 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
F2 P00734 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
BRD4 O60885 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MTNR1A P48039 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
SCHEMBL4461274 0.85 ALDH1A1 (0.50) ITGB1ITGA4ALDH1A1CYP3A4TSHR
SCHEMBL10892391 0.82 ALDH1A1 (0.41) ITGB1ITGA4ALDH1A1CYP3A4TSHR
SCHEMBL8943826 0.81 ALDH1A1 (0.40) ITGB1ITGA4ALDH1A1CYP3A4TSHR
SCHEMBL19731897 0.80 ALDH1A1 (0.46) ITGB1ITGA4ALDH1A1CYP3A4TSHR
SCHEMBL5645271 0.77 TYR (0.40) ITGB1ITGA4ALDH1A1AAK1
SCHEMBL8587169 0.73 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRNQO2F2
SCHEMBL2627803 0.71 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRNQO2MTNR1A
SCHEMBL27885489 0.71 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRNQO2OPRM1
SCHEMBL4713925 0.71 HSD17B1 (0.44) ALDH1A1CYP3A4TSHR
SCHEMBL9738368 0.71 LTB4R2 (0.44) ITGB1ITGA4CYP3A4HDAC1HDAC8

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 ITGB1 4215/4885ITGA4 3874/4885ALDH1A1 560/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES ITGB1 3658/4885ITGA4 3511/4885ALDH1A1 422/4885

“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.