SCHEMBL6410680

SCHEMBL6410680

C1=CC=C2c3ccccc3OC2C=C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAOB P27338 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL600651 0.92 KDM4E (0.33) KDM4EADORA3ARCYP19A1MAOB
SCHEMBL15415998 0.72 ALOX15 (0.38) KDM4E
SCHEMBL21587092 0.69
SCHEMBL21546208 0.69 KDM4E (0.31) KDM4EADORA3ARCYP19A1MAOB
SCHEMBL5139861 0.67 MAOB (0.32) MAOB
SCHEMBL12194864 0.66 MAOB (0.41) KDM4EADORA3ARCYP19A1MAOB
SCHEMBL4621136 0.65 RET (0.31)
SCHEMBL8663560 0.64 KDM4E (0.30) KDM4EADORA3ARCYP19A1MAOB
SCHEMBL4619988 0.64 CYP19A1 (0.37) KDM4EADORA3ARCYP19A1MAOB
SCHEMBL11153978 0.64 TTR (0.34) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 KDM4E 2064/4885ADORA3 415/4885AR 274/4885

“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.