SCHEMBL30426824

SCHEMBL30426824

COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 1.00
AKR1C3 P42330 4/20 1.00
CNR2 P34972 1/20 1.00
AKR1C2 P52895 2/20 0.84
PTGS1 P23219 3/20 0.82
GLO1 Q04760 2/20 0.82
HIF1A Q16665 2/20 0.82
KDM4E B2RXH2 1/20 0.82
MEN1 O00255 1/20 0.82
PTGES O14684 1/20 0.82
ABCC3 O15438 1/20 0.82
ABCC4 O15439 1/20 0.82
ABCB11 O95342 1/20 0.82
MT-CO2 P00403 1/20 0.82
LMNA P02545 1/20 0.82
ALB P02768 1/20 0.82
CYP1A2 P05177 1/20 0.82
ABCB1 P08183 1/20 0.82
ALOX5 P09917 1/20 0.82
ADORA3 P0DMS8 1/20 0.82

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
SCHEMBL14086813 1.00 PTGS2 (1.00) PTGS2AKR1C3CNR2AKR1C2PTGS1
SCHEMBL11092811 0.94 PTGS2 (0.88) PTGS2AKR1C3CNR2AKR1C2PTGS1
SCHEMBL8978311 0.93 PTGS2 (0.86) PTGS2AKR1C3CNR2AKR1C2PTGS1
SCHEMBL14031839 0.92 PTGS2 (0.84) PTGS2AKR1C3CNR2AKR1C2PTGS1
SCHEMBL28817657 0.92 PTGS2 (0.84) PTGS2AKR1C3CNR2AKR1C2PTGS1
SCHEMBL4549122 0.92 PTGS2 (1.00) PTGS2AKR1C3CNR2AKR1C2PTGS1
SCHEMBL16656482 0.91 AKR1C3 (1.00) PTGS2AKR1C3CNR2AKR1C2PTGS1
SCHEMBL12988768 0.91 PTGS2 (0.86) PTGS2AKR1C3CNR2AKR1C2PTGS1
SCHEMBL29855593 0.91 PTGS2 (0.86) PTGS2AKR1C3CNR2AKR1C2PTGS1
SCHEMBL10788764 0.91 PTGS2 (0.83) PTGS2AKR1C3CNR2AKR1C2PTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065422-B2 Reagents and process for direct C—H functionalization STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-08-20 US disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
US-11608322-B2 Reagents and process for direct C—H functionalization STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-03-21 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 (3 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-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH PTGS2 3723/4885AKR1C3 598/4885CNR2 1766/4885
US-11608322-B2 Reagents and process for direct C—H functionalization CFH, DOHH, CTSH PTGS2 3850/4885AKR1C3 756/4885CNR2 1883/4885
US-12065422-B2 Reagents and process for direct C—H functionalization CFH, DOHH, CTSH PTGS2 3850/4885AKR1C3 756/4885CNR2 1883/4885

“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.