SCHEMBL18027490

SCHEMBL18027490

CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCCCCCCCCCC3=CC(O)C(C)=C(C)C3O)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ FPR2 P25090 4/20 0.44
▸ CHRM1 P11229 2/20 0.42
▸ TLR7 Q9NYK1 1/20 0.40
▸ SLC6A4 P31645 3/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ AVPR2 P30518 3/20 0.38
▸ NPY4R P50391 2/20 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
SCHEMBL16405434 1.00 TGM2 (0.46) TGM2MEN1USP2POLBPPARG
SCHEMBL18029775 0.88 TGM2 (0.36) TGM2MEN1USP2POLBPPARG
SCHEMBL18350813 0.86 USP2 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL14667860 0.86 USP2 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL13428258 0.86 USP2 (0.53) TGM2MEN1USP2POLBPPARG
Hydrochloric Acid SCHEMBL29557664 0.85 USP2 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL17693127 0.85 USP2 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL17693120 0.85 USP2 (0.53) TGM2MEN1USP2POLBPPARG
SCHEMBL22292200 0.85 USP2 (0.55) TGM2MEN1USP2POLBPPARG
Hydrochloric Acid SCHEMBL29539118 0.84 USP2 (0.54) TGM2MEN1USP2POLBPPARG

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 644/4885MEN1 4528/4885USP2 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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