SCHEMBL959417

SCHEMBL959417

CCOC(=O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
P2RX3 P56373 2/20 0.42
PTGER1 P34995 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B14 Q9BPX1 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
S1PR4 O95977 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL962201 0.86 MRGPRX4 (0.53) MRGPRX4GAAPTGER1HSD17B14ALDH1A1
SCHEMBL957846 0.84 MAPT (0.47) MRGPRX4MAPTGAANPSR1GPR55
SCHEMBL959117 0.84 MAPT (0.49) MRGPRX4MAPTGAANPSR1GPR55
SCHEMBL957949 0.81 GPR52 (0.44) MRGPRX4HSD17B14MAPK1KMT2AALDH1A1
SCHEMBL959981 0.80 MAPT (0.48) MRGPRX4MAPTGAANPSR1GPR55
SCHEMBL963563 0.78 MRGPRX4 (0.39) MRGPRX4PTGER1HSD17B14MAPK1TDP1
SCHEMBL958350 0.77 MAPT (0.49) MRGPRX4MAPTGAANPSR1GPR55
SCHEMBL18642084 0.76 CHRM1 (0.54) MRGPRX4MAPTGAANPSR1GPR55
SCHEMBL28650517 0.74 ALDH1A1 (0.48) MAPTGAANPSR1KDM4ETDP1
SCHEMBL959343 0.73 MRGPRX4 (0.53) MRGPRX4MAPTGAAPTGER1ALDH1A1

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 MRGPRX4 133/4885MAPT 4154/4885GAA 4197/4885

“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.