SCHEMBL23969628

SCHEMBL23969628

O=C1c2ccccc2C(O)N1OC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ATM Q13315 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP17A1 P05093 2/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL19917294 0.81 RAB9A (0.42) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL29732738 0.78 KDM4E (0.47) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL21848400 0.78 KDM4E (0.47) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL25575417 0.75 RAB9A (0.48) MEN1KMT2AALDH1A1RAB9AATM
SCHEMBL31330661 0.72 ALDH1A1 (0.40) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL21848555 0.71 DDB1 (0.36) MEN1KMT2AALDH1A1IDO1RAB9A
SCHEMBL24880037 0.70 RAB9A (0.48) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL21848395 0.69 GPR119 (0.39) KDM4EIDO1ATMTSHR
SCHEMBL30537479 0.68 KDM4E (0.48) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL23790725 0.67 RAB9A (0.43) MEN1KMT2AALDH1A1RAB9AATM

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-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-02 — — 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 (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-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions PCSK9, LIPA, ACSL3 KDM4E 3919/4885MEN1 2765/4885KMT2A 4539/4885

“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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