SCHEMBL4054737

SCHEMBL4054737

Cc1ccc(/C=C/c2nc3cc(-c4ccco4)ccc3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.51
KDM4E B2RXH2 7/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 3/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
SNCA P37840 1/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4054741 1.00 HPGD (0.51) HPGDKDM4ENPC1RAB9AALDH1A1
SCHEMBL4053716 0.89 HPGD (0.49) HPGDKDM4ENPC1RAB9AALDH1A1
SCHEMBL4053714 0.89 HPGD (0.49) HPGDKDM4ENPC1RAB9AALDH1A1
SCHEMBL4062715 0.88 KMT2A (0.44) HPGDKDM4ENPC1RAB9AALDH1A1
SCHEMBL4062709 0.88 KMT2A (0.44) HPGDKDM4ENPC1RAB9AALDH1A1
SCHEMBL4060633 0.85 PIK3R1 (0.44) HPGDKDM4ENPC1RAB9AALDH1A1
SCHEMBL4060638 0.85 PIK3R1 (0.44) HPGDKDM4ENPC1RAB9AALDH1A1
SCHEMBL4059589 0.84 ALDH1A1 (0.45) HPGDKDM4ENPC1RAB9AALDH1A1
SCHEMBL4059584 0.84 ALDH1A1 (0.45) HPGDKDM4ENPC1RAB9AALDH1A1
SCHEMBL4062513 0.83 SMN1; SMN2 (0.65) HPGDKDM4ENPC1RAB9AALDH1A1

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 HPGD 3915/4885KDM4E 496/4885NPC1 4740/4885

“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.