SCHEMBL9001017

SCHEMBL9001017

CCN(CC)c1ccc2c(-c3ccccc3CC(=O)OC)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.57
▸ BLM P54132 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ PPARG P37231 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ NCOR2 Q9Y618 1/20 0.57
▸ FPR2 P25090 4/20 0.48
▸ TGM2 P21980 1/20 0.47
▸ CHRM1 P11229 1/20 0.43
▸ AVPR2 P30518 4/20 0.43
▸ TLR7 Q9NYK1 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SLC6A2 P23975 4/20 0.39
▸ SLC6A4 P31645 4/20 0.39
▸ SLC6A3 Q01959 4/20 0.39

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
SCHEMBL15704723 0.86 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL9007850 0.86 USP2 (0.59) MEN1BLMKMT2AUSP2POLB
SCHEMBL18760308 0.85 USP2 (0.54) MEN1BLMKMT2AUSP2POLB
SCHEMBL13033323 0.83 USP2 (0.58) MEN1BLMKMT2AUSP2POLB
SCHEMBL16075825 0.83 MEN1 (0.54) MEN1BLMKMT2AUSP2POLB
SCHEMBL29593395 0.83 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
Rhodamine B SCHEMBL10000882 0.83 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL3903552 0.83 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL17409220 0.83 MEN1 (0.59) MEN1BLMKMT2AUSP2POLB
SCHEMBL12118351 0.82 MEN1 (0.59) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120272990-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2012-11-01 — — US disclosed
US-20120202216-A1 NOVEL PHOTOACTIVABLE FLUORESCENT DYES FOR OPTICAL MICROSCOPY AND IMAGING TECHNIQUES MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-08-09 — — US disclosed
US-8187782-B2 Full color image formation process KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-05-29 — — US disclosed
US-8187340-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2012-05-29 — — US disclosed
WO-2011084803-A2 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2011-07-14 — — WO disclosed
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2011-06-30 — — US disclosed
US-20110008071-A1 FULL COLOR IMAGE FORMING METHOD KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2011-01-13 — — US disclosed
US-20090291375-A1 FULL COLOR IMAGE FORMATION PROCESS KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 — — 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 (3 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-20120272990-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MEN1 3187/4885BLM 1144/4885KMT2A 1622/4885
US-20120202216-A1 NOVEL PHOTOACTIVABLE FLUORESCENT DYES FOR OPTICAL MICROSCOPY AND IMAGING TECHNIQUES CCNT1, CCNB3, CCNE1 MEN1 2908/4885BLM 2506/4885KMT2A 3853/4885
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MEN1 3187/4885BLM 1144/4885KMT2A 1622/4885

“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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