SCHEMBL12763955

SCHEMBL12763955

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)N(C)CCOC(=O)NCCCCCCO)c3ccc(C)cc3oc-2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.44
▸ CHRM1 P11229 2/20 0.40
▸ FPR2 P25090 4/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ NPY4R P50391 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 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
SCHEMBL14077999 0.92 TGM2 (0.52) TGM2CHRM1FPR2MEN1USP2
SCHEMBL12763957 0.88 FPR2 (0.43) TGM2CHRM1FPR2MEN1USP2
SCHEMBL12763954 0.86 TGM2 (0.39) TGM2CHRM1FPR2MEN1USP2
SCHEMBL12763952 0.85 MEN1 (0.44) TGM2CHRM1FPR2MEN1USP2
SCHEMBL12763990 0.85 TGM2 (0.39) TGM2CHRM1FPR2MEN1USP2
SCHEMBL19962183 0.80 TGM2 (0.50) TGM2CHRM1FPR2MEN1USP2
SCHEMBL14078000 0.79 MEN1 (0.54) TGM2CHRM1FPR2MEN1USP2
SCHEMBL12763958 0.78 ACHE (0.31) —
SCHEMBL14078001 0.76 MEN1 (0.56) TGM2CHRM1FPR2MEN1USP2
SCHEMBL9290111 0.76 ABCB1 (0.46) TGM2FPR2MEN1USP2POLB

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-9228225-B2 Xanthene dyes BIOSEARCH TECHNOLOGIES, INC. (US) 2016-01-05 — — US disclosed
US-20110054165-A1 XANTHENE DYES BIOSEARCH TECHNOLOGIES, INC. (US) 2011-03-03 — — 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-20110054165-A1 XANTHENE DYES ANXA5, ANTXR2, XPOT TGM2 1403/4885CHRM1 532/4885FPR2 181/4885

“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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