SCHEMBL4568593

SCHEMBL4568593

CCOc1cc2[nH]c(-c3ccc(F)cc3)c(Cc3cccc(C(=O)O)n3)c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
PDE10A Q9Y233 3/20 0.40
CXCR2 P25025 4/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PTGER1 P34995 1/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TSPO P30536 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3705668 0.93 MRGPRX4 (0.43) MRGPRX4PTGER1PPARGMAPT
SCHEMBL4568581 0.92 PDE10A (0.38) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL4568528 0.91 MRGPRX4 (0.42) MRGPRX4PDE10ACXCR2MAPT
SCHEMBL3711661 0.91 CXCR2 (0.42) MRGPRX4PDE10ACXCR2MAPT
SCHEMBL4568580 0.86 PPARG (0.41) PTGER1PPARGMAPT
SCHEMBL3709813 0.86 TUBB4A (0.40) MRGPRX4PDE4APDE4BPDE4CPDE4D
SCHEMBL3706168 0.86 CYP19A1 (0.41) PTGER1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3707080 0.85 CXCR2 (0.41) CXCR2PPARGMAPT
SCHEMBL4568525 0.85 MRGPRX4 (0.44) MRGPRX4PDE10APPARGKDM4EMEN1
SCHEMBL4568524 0.83 GRM5 (0.39) MRGPRX4CXCR2PTGER1KDM4EMEN1

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MRGPRX4 273/4885PDE10A 2672/4885CXCR2 1255/4885

“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.