SCHEMBL6846500

SCHEMBL6846500

O=C(O)c1ccc(F)c(OCc2cncc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.46
PTGER1 P34995 1/20 0.45
TTR P02766 3/20 0.41
ALB P02768 1/20 0.41
CSNK2A2 P19784 2/20 0.40
CSNK2A1 P68400 1/20 0.40
PTGFR P43088 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
GCK P35557 1/20 0.39
CSNK2B P67870 1/20 0.39
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
Hydrochloric Acid SCHEMBL6841286 0.99 MRGPRX4 (0.45) MRGPRX4PTGER1TTRALBCSNK2A2
SCHEMBL6846744 0.80 NR4A2 (0.57) MRGPRX4GCK
Hydrochloric Acid SCHEMBL6841319 0.79 NR4A2 (0.56) MRGPRX4GCK
SCHEMBL31197222 0.76 PTGER1 (0.71) MRGPRX4PTGER1
SCHEMBL5605127 0.76 PTGER1 (0.71) MRGPRX4PTGER1
SCHEMBL6845399 0.73 MRGPRX4 (0.55) MRGPRX4PTGER1
SCHEMBL10549321 0.71 CYP11B1 (0.49)
SCHEMBL8882686 0.70 MEN1 (0.51) MRGPRX4MYCMAX
SCHEMBL6846819 0.69 SLC16A3 (0.53) MRGPRX4
SCHEMBL459191 0.69 MRGPRX4 (0.55) MRGPRX4PTGER1TTRALB

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MRGPRX4 2412/4885PTGER1 1145/4885TTR 3487/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MRGPRX4 2412/4885PTGER1 1145/4885TTR 3487/4885

“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.