SCHEMBL19962191

SCHEMBL19962191

C=C(C)C(=O)OCC/[N+](CC)=c1\ccc2c(-c3ccccc3C)c3ccc(N(CC)CCCCCCN(CC)c4ccc5c(-c6ccccc6C)c6ccc(=[N+](CC)CC)cc-6oc5c4)cc3oc-2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ TGM2 P21980 1/20 0.43
▸ FPR2 P25090 4/20 0.42
▸ CHRM1 P11229 3/20 0.42
▸ SLC6A4 P31645 5/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.36
▸ AVPR2 P30518 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL19962195 0.99 MEN1 (0.45) MEN1BLMKMT2AUSP2POLB
SCHEMBL19962196 0.94 TGM2 (0.44) MEN1BLMKMT2AUSP2POLB
SCHEMBL19962193 0.94 TGM2 (0.43) MEN1BLMKMT2AUSP2POLB
SCHEMBL19962192 0.90 MEN1 (0.47) MEN1BLMKMT2AUSP2POLB
SCHEMBL19962194 0.89 MEN1 (0.45) MEN1BLMKMT2AUSP2POLB
SCHEMBL19962187 0.86 MEN1 (0.56) MEN1BLMKMT2AUSP2POLB
SCHEMBL19962185 0.86 CHRM1 (0.39) MEN1BLMKMT2AUSP2POLB
SCHEMBL19962184 0.85 MEN1 (0.51) MEN1BLMKMT2AUSP2POLB
SCHEMBL17693122 0.83 MEN1 (0.50) MEN1BLMKMT2AUSP2POLB
SCHEMBL17532633 0.83 MEN1 (0.51) 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 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 MEN1 1028/4885BLM 2953/4885KMT2A 452/4885

“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