SCHEMBL5573750

SCHEMBL5573750

CC(C)(C)OC(=O)c1ccc(Sc2ccc(C=O)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
BRAF P15056 8/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDR P35968 6/20 0.36
KMT2A Q03164 1/20 0.34
RHEB Q15382 2/20 0.34
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHEK2 O96017 1/20 0.33
HPGDS O60760 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
SCHEMBL4598186 0.86 ALDH1A1 (0.58) ALDH1A1HPGDBRAFCA12CA1
SCHEMBL14571144 0.82 NPC1 (0.41) ALDH1A1HPGDBRAFKMT2A
SCHEMBL4597308 0.80 ALDH1A1 (0.53) ALDH1A1HPGDBRAFKDRKMT2A
SCHEMBL1185621 0.78 ALDH1A1 (0.63) ALDH1A1ADRB2ADRB1ADRB3CA12
SCHEMBL4597726 0.76 KDM4E (0.60) ALDH1A1ADRB2ADRB1ADRB3HRH3
SCHEMBL2264443 0.75 KDM4E (0.50) ALDH1A1HPGDCHEK2
SCHEMBL10165326 0.74 GABRG2 (0.44) ALDH1A1HPGDS
SCHEMBL3926634 0.73 HSD17B10 (0.50) ALDH1A1HPGDBRAFKDRCHEK2
SCHEMBL5572729 0.73 ALDH1A1 (0.37) ALDH1A1HPGDBRAFKDRHRH3
SCHEMBL580094 0.73 PARP10 (0.46) ALDH1A1HPGDBRAFKDRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 ALDH1A1 3484/4885HPGD 1736/4885BRAF 3162/4885

“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.