SCHEMBL3436656

SCHEMBL3436656

COc1cc(Cl)ccc1-c1cc(CO)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
CRHR1 P34998 15/20 0.43
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
ADORA2B P29275 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19936632 0.88 HSP90AA1 (0.45) HSP90AA1HSP90AB1CRHR1ADORA2B
SCHEMBL10049095 0.85 HSP90AA1 (0.43) HSP90AA1HSP90AB1CRHR1TP53MDM2
SCHEMBL3436659 0.84 ACHE (0.40) CRHR1TP53KDM4EALDH1A1
SCHEMBL3436655 0.83 KCNH2 (0.41)
SCHEMBL3436658 0.82 KDM4E (0.48) HSP90AA1HSP90AB1TP53KDM4EALDH1A1
SCHEMBL3436592 0.78 CYP1A2 (0.44) HSP90AA1HSP90AB1CRHR1TP53MDM2
SCHEMBL19936425 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1CRHR1ADORA2BALDH1A1
SCHEMBL10049092 0.77 CRHR1 (0.42) HSP90AA1HSP90AB1CRHR1ADORA2B
SCHEMBL5025698 0.76 MAPT (0.47) TP53KDM4EALDH1A1
SCHEMBL14805079 0.76 CYP1A2 (0.42) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
WO-2012002527-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR あすか製薬株式会社 (JP) 2012-01-05 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-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR CDKN1A, SKP2, CCNI HSP90AA1 2419/4885HSP90AB1 2147/4885CRHR1 3534/4885

“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.