SCHEMBL4052985

SCHEMBL4052985

CCOc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
RAB9A P51151 5/20 0.60
HPGD P15428 5/20 0.60
KDM4E B2RXH2 4/20 0.60
TP53 P04637 3/20 0.60
HSD17B10 Q99714 3/20 0.60
MAPT P10636 2/20 0.60
TSHR P16473 2/20 0.60
MAPK1 P28482 2/20 0.60
CASP3 P42574 2/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
NPC1 O15118 3/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.46
GPR119 Q8TDV5 10/20 0.46
SIRT1 Q96EB6 1/20 0.44
S1PR1 P21453 2/20 0.44

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
SCHEMBL4056908 0.90 MAPT (0.53) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL4059113 0.88 MAPT (0.48) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL4057880 0.88 MCL1 (0.46) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL4059615 0.87 RAB9A (0.60) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL4236875 0.86 GPR119 (0.49) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL4054658 0.86 GPR119 (0.58) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL4057690 0.85 GPR119 (0.55) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL4051369 0.85 PPARD (0.47) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL4050856 0.84 GPR119 (0.55) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL4050933 0.84 ALOX5 (0.47) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E

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
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B ALDH1A1 3683/4885SMN1; SMN2 4289/4885RAB9A 1184/4885

“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.