SCHEMBL12763952

SCHEMBL12763952

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ FPR2 P25090 4/20 0.43
▸ TGM2 P21980 1/20 0.41
▸ CHRM1 P11229 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ P2RY6 Q15077 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ GOPC Q9HD26 1/20 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
SCHEMBL12763957 0.94 FPR2 (0.43) MEN1BLMKMT2AUSP2POLB
SCHEMBL14078001 0.90 MEN1 (0.56) MEN1BLMKMT2AUSP2POLB
SCHEMBL12763955 0.85 TGM2 (0.44) MEN1BLMKMT2AUSP2POLB
SCHEMBL12763951 0.85 POLB (0.50) MEN1BLMKMT2AUSP2POLB
SCHEMBL12763953 0.84 MEN1 (0.44) MEN1BLMKMT2AUSP2POLB
SCHEMBL14078000 0.84 MEN1 (0.54) MEN1BLMKMT2AUSP2POLB
SCHEMBL12763956 0.81 FPR2 (0.38) MEN1BLMKMT2AUSP2POLB
SCHEMBL12673518 0.80 MEN1 (0.59) MEN1BLMKMT2AUSP2POLB
SCHEMBL12017847 0.80 MEN1 (0.53) MEN1BLMKMT2AUSP2POLB
SCHEMBL27105521 0.80 FPR2 (0.55) MEN1BLMKMT2AUSP2POLB

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 MEN1 894/4885BLM 1267/4885KMT2A 4043/4885

“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.

Send feedback