SCHEMBL7654223

SCHEMBL7654223

CC(OOC(C)(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ADRA2B P18089 2/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL29137519 0.88 RIPK1 (0.37) RIPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL14387379 0.82 MAPK1 (0.59) RIPK1ALDH1A1MAPK1HCAR2ADRA2B
SCHEMBL464725 0.81 HCAR2 (0.45) ALDH1A1TSHRHCAR2ADRA2BADRA2A
SCHEMBL11659192 0.80 TSHR (0.39) RIPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11237759 0.80 TSHR (0.39) RIPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3099790 0.79 RIPK1 (0.37) RIPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL21433903 0.79 RIPK1 (0.37) RIPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8388174 0.79 ALDH1A1 (0.37) RIPK1ALDH1A1MAPK1HCAR2
SCHEMBL11966010 0.77 RIPK1 (0.42) RIPK1MAPK1HCAR2ADRA2BCACNA1F
Isopropylbenzene SCHEMBL2522337 0.77 RIPK1 (0.42) RIPK1ALDH1A1TSHRHSD17B10TDP1

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
CN-117142915-A Method for synthesizing organic peroxy compound by decarboxylation of carboxylic acid under catalysis of visible light 中国人民大学 2023-12-01 CN disclosed
CN-110317131-B Method for preparing ketone compound from ethylbenzene compound 内蒙古民族大学 2022-02-01 CN disclosed
US-20120289749-A1 Gold Nanocatalysts and Methods of Use Thereof ASEFA TEWODROS (US) 2012-11-15 US disclosed
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 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-20120289749-A1 Gold Nanocatalysts and Methods of Use Thereof SOD1, HCCS, CAT RIPK1 4218/4885ALDH1A1 169/4885TSHR 2992/4885

“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.