SCHEMBL3597089

SCHEMBL3597089

Cc1cc2ccc(CO)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
APP P05067 2/20 0.41
ILK Q13418 2/20 0.40
CA2 P00918 2/20 0.39
HDAC1 Q13547 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP2A6 P11509 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL8189102 0.82 SMN1; SMN2 (0.47) HSD17B10HDAC1HDAC3HDAC4HDAC7
SCHEMBL3606671 0.81 CYP2A6 (0.47) HSD17B10CA2HDAC1HDAC3HDAC4
SCHEMBL8221541 0.78 GABRA1 (0.41) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL19756719 0.78 CA2 (0.44) CA2HDAC1HDAC3HDAC4HDAC7
SCHEMBL24297526 0.78 ESR1 (0.38) HSD17B10HDAC1HDAC3HDAC4HDAC7
SCHEMBL422041 0.77 HDAC3 (0.52) APPHDAC1HDAC3HDAC4HDAC7
SCHEMBL31095615 0.77 HSD17B10 (0.42) HSD17B10APPILKCA2HDAC1
SCHEMBL11886144 0.77 CA2 (0.42) HSD17B10APPILKCA2HDAC1
SCHEMBL25225674 0.77 HSD17B10 (0.42) HSD17B10APPILKCA2HDAC1
SCHEMBL13036389 0.75 CLK1 (0.50) HSD17B10APPCA2HDAC1HDAC3

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-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 HSD17B10 3024/4885APP 3127/4885ILK 2044/4885

“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.