SCHEMBL19962185

SCHEMBL19962185

C=C(C)C(=O)OCCNC(=O)OCC/[N+](CC)=c1/ccc2c(-c3ccccc3C)c3ccc(N(C)CCCCCCN(C)c4ccc5c(-c6ccccc6C)c6cc/c(=[N+](\CC)CCOC(=O)NCCOC(=O)C(=C)C)cc-6oc5c4)cc3oc-2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 3/20 0.39
▸ TGM2 P21980 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ FPR2 P25090 4/20 0.35
▸ SLC6A4 P31645 4/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ RECQL P46063 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
SCHEMBL19962193 0.93 TGM2 (0.43) CHRM1TGM2MEN1BLMKMT2A
SCHEMBL19962196 0.92 TGM2 (0.44) CHRM1TGM2MEN1BLMKMT2A
SCHEMBL19962195 0.87 MEN1 (0.45) CHRM1TGM2MEN1BLMKMT2A
SCHEMBL19962191 0.86 MEN1 (0.47) CHRM1TGM2MEN1BLMKMT2A
SCHEMBL19296585 0.82 MEN1 (0.47) CHRM1TGM2MEN1BLMKMT2A
SCHEMBL19962186 0.80 MEN1 (0.49) CHRM1TGM2MEN1BLMKMT2A
SCHEMBL19296592 0.80 MEN1 (0.44) CHRM1TGM2MEN1BLMKMT2A
SCHEMBL19962183 0.80 TGM2 (0.50) CHRM1TGM2MEN1BLMKMT2A
SCHEMBL19296582 0.79 MEN1 (0.42) CHRM1TGM2MEN1BLMKMT2A
SCHEMBL19296571 0.79 MEN1 (0.50) CHRM1TGM2MEN1BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072709-A1 COMPOUND, PHOTOSENSITIVE RESIN COMPOSITION INCLUDING THE SAME, AND COLOR FILTER SAMSUNG SDI CO., LTD. (KR) 2018-03-15 — — 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-20180072709-A1 COMPOUND, PHOTOSENSITIVE RESIN COMPOSITION INCLUDING THE SAME, AND COLOR FILTER ASIC1, RER1, TAS1R1 CHRM1 4418/4885TGM2 2452/4885MEN1 1028/4885

“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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