SCHEMBL5041715

SCHEMBL5041715

CC(=O)OCC1(c2ccc(O)cc2)CC(C(C)O)=NO1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCD Q05655 1/20 0.30

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
SCHEMBL5041720 0.79 MIF (0.31) MIFKDM4ELMNAGAAMAPT
SCHEMBL3686592 0.63 ALDH1A1 (0.37) GAAMAPTKMT2APRKCA
SCHEMBL5041707 0.63 LDHA (0.33)
Hydroquinone SCHEMBL6353777 0.59 ADRB2 (0.46) MIFADRB2ADRB1ADRB3KDM4E
Hydroquinone SCHEMBL9547887 0.57 ALDH1A1 (0.67) MIFKDM4ELMNAGAAMAPT
Hydroquinone SCHEMBL28100131 0.57 ALDH1A1 (0.67) MIFKDM4ELMNAGAAMAPT
SCHEMBL6359655 0.56 ADRB2 (0.43) ADRB2ADRB1ADRB3KDM4ELMNA
SCHEMBL126492 0.56 ALDH1A1 (0.69) KDM4ELMNAKMT2A
SCHEMBL6352900 0.55 ESR1 (0.44) MIFADRB2ADRB1ADRB3KDM4E
SCHEMBL16244120 0.55 ESR1 (0.36) ADRB1ADRB3KDM4ELMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628974-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2008-05-07 EP disclosed
US-7132432-B2 Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-07 US disclosed
EP-1628974-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2004108086-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 WO disclosed
US-20040254231-A1 Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 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-20040254231-A1 Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) ADAM17, ADAMTS1, MMP3 MIF 100/4885ADRB2 4791/4885ADRB1 4081/4885

“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.