SCHEMBL18994832

SCHEMBL18994832

CC(C)(C)C(=O)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 13/20 0.66
▸ KIF11 P52732 1/20 0.56
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ PRSS1 P07477 1/20 0.45
▸ ACR P10323 1/20 0.45
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ PRTN3 P24158 1/20 0.44
▸ MAOB P27338 1/20 0.44

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
SCHEMBL12727386 0.89 KIF11 (0.56) ELANEKIF11CYP11B1CYP11B2PRSS1
SCHEMBL22369614 0.85 ELANE (0.86) ELANEPRTN3
SCHEMBL16904842 0.84 ELANE (0.70) ELANE
SCHEMBL17678829 0.84 ELANE (0.70) ELANEPRTN3
SCHEMBL18479637 0.84 ELANE (0.59) ELANE
SCHEMBL18994834 0.82 KIF11 (0.50) ELANEKIF11CYP11B1CYP11B2PRSS1
SCHEMBL15495793 0.82 ELANE (0.50) ELANEKIF11CYP11B1CYP11B2PRSS1
SCHEMBL11991249 0.82 KIF11 (0.50) ELANEKIF11CYP11B1CYP11B2PRSS1
SCHEMBL839809 0.80 KIF11 (0.59) ELANEKIF11CYP11B1CYP11B2PRSS1
SCHEMBL13551942 0.80 ELANE (0.70) ELANEPRTN3

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-11357970-B2 Biomedical electrode composition, biomedical electrode and method for manufacturing the biomedical electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-06-14 — — US disclosed
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-05-18 — — US disclosed
US-20180193632-A1 BIOMEDICAL ELECTRODE COMPOSITION, BIOMEDICAL ELECTRODE AND METHOD FOR MANUFACTURING THE BIOMEDICAL ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-07-12 — — US disclosed
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 — — US disclosed
US-9682962-B2 Pyrazolyl pyrimidinamine compound and application thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-06-20 — — 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-20180193632-A1 BIOMEDICAL ELECTRODE COMPOSITION, BIOMEDICAL ELECTRODE AND METHOD FOR MANUFACTURING THE BIOMEDICAL ELECTRODE KCNN2, KCNN1, HCN4 ELANE 647/4885KIF11 1897/4885CYP11B1 3921/4885
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof APRT, GART, PNP ELANE 3827/4885KIF11 3898/4885CYP11B1 644/4885
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof APRT, GART, PNP ELANE 3827/4885KIF11 3898/4885CYP11B1 644/4885

“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.

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