SCHEMBL21298723

SCHEMBL21298723

CC(C)OC(=O)c1cnc(F)n1[C@H](C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GABRA1 P14867 4/20 0.41
▸ GABRB2 P47870 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 3/20 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
SCHEMBL24283662 1.00 MAPK1 (0.42) MAPK1ALDH1A1TDP1GABRA1GABRB2
SCHEMBL24283640 0.88 MAPK1 (0.55) MAPK1ALDH1A1TDP1GABRA1GABRB2
SCHEMBL21298747 0.88 MAPK1 (0.55) MAPK1ALDH1A1TDP1GABRA1GABRB2
SCHEMBL21298732 0.85 ALDH1A1 (0.52) MAPK1ALDH1A1TDP1GABRA1GABRB2
SCHEMBL24283843 0.85 ALDH1A1 (0.52) MAPK1ALDH1A1TDP1GABRA1GABRB2
SCHEMBL21298748 0.85 GABRA1 (0.59) MAPK1ALDH1A1TDP1GABRA1GABRB2
SCHEMBL24283642 0.84 MAPK1 (0.42) MAPK1ALDH1A1TDP1GABRA1GABRB2
SCHEMBL24283651 0.83 ALDH1A1 (0.44) MAPK1ALDH1A1TDP1GABRA1GABRB2
SCHEMBL28646915 0.82 ALDH1A1 (0.43) MAPK1ALDH1A1TDP1GABRA1GABRB2
SCHEMBL21298728 0.81 CYP3A4 (0.46) MAPK1ALDH1A1TDP1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3360863-B1 ETOMIDATE DERIVATIVE AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF JIANGSU NHWALUOKANG PHARMACEUTICAL RES AND DEVELOPMENT CO LTD (CN) 2022-04-20 — — EP disclosed
CN-113880770-A Etomidate derivative and intermediate, preparation method and application thereof 江苏恩华络康药物研发有限公司 2022-01-04 — — CN disclosed
CN-108349906-B Etomidate derivative and intermediate, preparation method and application thereof 江苏恩华络康药物研发有限公司 2021-11-02 — — CN disclosed
US-10392352-B2 Etomidate derivative and intermediate, preparation method and use thereof JIANGSU NHWALUOKANG PHARMCEUTICAL RESEARCH AND DEVELOPMENT CO., LTD. (CN) 2019-08-27 — — 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-10392352-B2 Etomidate derivative and intermediate, preparation method and use thereof CYP4A11, CYP3A43, ETV1 MAPK1 381/4885ALDH1A1 1107/4885TDP1 867/4885

“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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