SCHEMBL4056908

SCHEMBL4056908

CCCCOc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TP53 P04637 3/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 3/20 0.53
NPC1 O15118 2/20 0.53
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48

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
SCHEMBL4059113 0.96 MAPT (0.48) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL4052985 0.90 ALDH1A1 (0.60) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL4057880 0.89 MCL1 (0.46) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL4236875 0.88 GPR119 (0.49) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL4053064 0.87 TLR9 (0.42) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL4059615 0.84 RAB9A (0.60) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL4054658 0.83 GPR119 (0.58) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL4056115 0.82 MAPT (0.53) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL4057690 0.82 GPR119 (0.55) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL4051369 0.82 PPARD (0.47) MAPTKDM4EALDH1A1TP53HPGD

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 MAPT 4026/4885KDM4E 496/4885ALDH1A1 3683/4885

“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.