SCHEMBL18029775

SCHEMBL18029775

CC/N=c1\ccc2c(-c3ccccc3C(=O)OCCCCCCCCCC3=CC(O)C(C)=C(C)C3O)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.36
▸ ABCB1 P08183 1/20 0.34
▸ USP2 O75604 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ CFTR P13569 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ GOPC Q9HD26 1/20 0.34
▸ FPR2 P25090 4/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ IGLV6-57 P01721 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31

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
SCHEMBL16405434 0.88 TGM2 (0.46) TGM2USP2FPR2CHRM1MEN1
SCHEMBL18027490 0.88 TGM2 (0.46) TGM2USP2FPR2CHRM1MEN1
SCHEMBL2732905 0.85 ABCB1 (0.43) TGM2ABCB1USP2ATMCFTR
SCHEMBL22851948 0.83 MAOB (0.45) TGM2ABCB1USP2ATMCFTR
SCHEMBL18840607 0.83 TGM2 (0.37) TGM2ABCB1USP2ATMCFTR
SCHEMBL20961733 0.81 ABCB1 (0.40) TGM2ABCB1USP2ATMCFTR
SCHEMBL15100480 0.79 ABCB1 (0.53) TGM2ABCB1USP2ATMCFTR
SCHEMBL14338981 0.78 TGM2 (0.46) TGM2USP2FPR2CHRM1MEN1
SCHEMBL14339025 0.78 TGM2 (0.41) TGM2ABCB1USP2ATMCFTR
SCHEMBL15100483 0.77 TGM2 (0.42) TGM2ABCB1USP2ATMCFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744180-B2 Pharmaceutical formulations containing mitochondrially targeted antioxidants MITOTECH SA (LU) 2017-08-29 — — US disclosed
US-20160243136-A1 PHARMACEUTICAL FORMULATIONS CONTAINING MITOCHONDRIALLY TARGETED ANTIOXIDANTS ESSEX BIO-INVESTMENT LIMITED (HK) 2016-08-25 — — 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-20160243136-A1 PHARMACEUTICAL FORMULATIONS CONTAINING MITOCHONDRIALLY TARGETED ANTIOXIDANTS TXNRD2, TXN2, GSR TGM2 644/4885ABCB1 798/4885USP2 3397/4885

“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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