SCHEMBL22175384

SCHEMBL22175384

CC(C)/C(O)=C/C(=O)C(C)(C)Cc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HPGD P15428 1/20 0.38
GPR52 Q9Y2T5 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ANPEP P15144 1/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9565762 0.78 RIPK1 (0.51) RIPK1CTSSCTSKHPGDGPR52
SCHEMBL29836734 0.78 RIPK1 (0.51) RIPK1CTSSCTSKHPGDGPR52
SCHEMBL20696571 0.74 GPR52 (0.44) RIPK1HPGDGPR52PPARGPPARA
SCHEMBL20696564 0.74 TSHR (0.36) RIPK1CTSSCTSKHPGDGPR52
SCHEMBL16393647 0.72 RIPK1 (0.47) RIPK1CTSSCTSKHPGDGPR52
SCHEMBL5925975 0.71 RIPK1 (0.41) RIPK1CTSSCTSKHPGDGPR52
SCHEMBL24140655 0.70 RIPK1 (0.47) RIPK1CTSSCTSKALDH1A1NPSR1
SCHEMBL12802659 0.69 RIPK1 (0.49) RIPK1HPGDPPARATSHRALDH1A1
SCHEMBL31558898 0.68 APAF1 (0.51) RIPK1CTSSCTSKHPGDGPR52
SCHEMBL23189271 0.68 APAF1 (0.51) RIPK1CTSSCTSKHPGDGPR52

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-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
US-20200207794-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-02 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 (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-20200207794-A1 METAL COMPLEXES IMMT, MCU, SOD1 RIPK1 2259/4885CTSS 2484/4885CTSK 3241/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 RIPK1 2259/4885CTSS 2484/4885CTSK 3241/4885

“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.