SCHEMBL6848196

SCHEMBL6848196

COC(=O)c1cccc(OCc2cncc3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.58
MRGPRX4 Q96LA9 1/20 0.48
PPARG P37231 3/20 0.48
VDR P11473 2/20 0.48
ESR1 P03372 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
RXRA P19793 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
ESR2 Q92731 1/20 0.48
PARP10 Q53GL7 2/20 0.44
PARP15 Q460N3 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL6846744 0.87 NR4A2 (0.57) CYSLTR1MRGPRX4NR1H4GPBAR1KMT2A
Hydrochloric Acid SCHEMBL6841319 0.86 NR4A2 (0.56) CYSLTR1MRGPRX4PPARGGPBAR1KMT2A
SCHEMBL6841241 0.85 CYSLTR1 (0.43) CYSLTR1GPBAR1MEN1KMT2ANPC1
SCHEMBL6841240 0.82 MEN1 (0.47) CYSLTR1KDM4ENR1H4GPBAR1MEN1
SCHEMBL6846538 0.81 ATM (0.48) MEN1KMT2ANPC1RAB9AMAPK8
SCHEMBL6846891 0.81 SMPD1 (0.52) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL6846626 0.80 TDP1 (0.45) CYSLTR1MRGPRX4NPC1RAB9ANR4A2
Hydrochloric Acid SCHEMBL6845436 0.80 ATM (0.47) MEN1KMT2ANPC1RAB9AMAPK8
SCHEMBL6845358 0.80 NPC1 (0.47) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL7550926 0.79 CYSLTR1 (0.42) CYSLTR1PARP10PARP15GPBAR1KMT2A

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 CYSLTR1 1805/4885MRGPRX4 2412/4885PPARG 317/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CYSLTR1 1805/4885MRGPRX4 2412/4885PPARG 317/4885

“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.