SCHEMBL960607

SCHEMBL960607

O=C(O)c1cccc(-c2cccc(OCCc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.74
NR4A2 P43354 2/20 0.53
MRGPRX4 Q96LA9 5/20 0.50
KMO O15229 2/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
LTB4R Q15722 2/20 0.43
LIPG Q9Y5X9 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CDK8 P49336 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
SCHEMBL958328 0.86 GPR52 (0.57) GPR52NR4A2MRGPRX4KMOKDM4C
SCHEMBL961978 0.85 GPR52 (1.00) GPR52MRGPRX4CDK8
SCHEMBL958231 0.84 GPR52 (0.53) GPR52MRGPRX4KMOLTB4R
SCHEMBL960922 0.82 GPR52 (0.81) GPR52ALDH1A1CDK8
SCHEMBL961439 0.82 GPR52 (0.52) GPR52MRGPRX4KDM4CLTB4R
SCHEMBL957828 0.79 PTGDR (0.55) GPR52MRGPRX4KDM4EALDH1A1KMT2A
SCHEMBL958593 0.79 GPR52 (0.53) GPR52NR4A2MRGPRX4KMOKDM4C
SCHEMBL961661 0.74 GPR52 (0.52) GPR52HDAC1HDAC6
SCHEMBL3994933 0.74 ALDH1A1 (0.57) GPR52NR4A2KMOKDM4EMEN1
SCHEMBL963457 0.74 PTGDR (0.54) GPR52NR4A2MRGPRX4KMO

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 GPR52 23/4885NR4A2 8/4885MRGPRX4 133/4885

“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.