SCHEMBL24672670

SCHEMBL24672670

CC(C)(C)OC(=O)N[C@@H]1c2ccccc2CC12CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ KDM1A O60341 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ GHSR Q92847 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL23024058 0.88 EPHX2 (0.46) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL29891150 0.88 EPHX2 (0.46) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL30274704 0.88 EPHX2 (0.46) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL29890956 0.85 TSHR (0.44) EPHX2KDM1ANAMPTIDO1ATM
SCHEMBL21383837 0.85 TSHR (0.44) EPHX2KDM1ANAMPTIDO1ATM
SCHEMBL23046133 0.85 TSHR (0.44) EPHX2KDM1ANAMPTIDO1ATM
SCHEMBL21383908 0.85 EPHX2 (0.41) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL30529614 0.82 DRD2 (0.42) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL11707783 0.82 MAPT (0.40) KMT2AALDH1A1MAPT
SCHEMBL21397679 0.79 EPHX2 (0.45) EPHX2KDM1AMAOBKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 — — 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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 EPHX2 1178/4885KDM1A 1019/4885MAOB 3650/4885

“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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