SCHEMBL10021864

SCHEMBL10021864

C=Cc1cccc2cc3ccc(C(=O)OC4CN(COC)C(=O)N(COC)C4)cc3cc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MITF O75030 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
CCR6 P51684 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LGALS9 O00182 1/20 0.31
LGALS8 O00214 1/20 0.31
LGALS1 P09382 1/20 0.31
LGALS3 P17931 1/20 0.31
LGALS7; LGALS7B P47929 1/20 0.31
DRD3 P35462 1/20 0.30

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
SCHEMBL10021863 0.93 KDM2B (0.33) ALDH1A1MEN1KMT2A
SCHEMBL10021857 0.85 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL10021861 0.85 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL10021859 0.83 MEN1 (0.32) ALDH1A1HRH3MEN1KMT2AMAPT
SCHEMBL472300 0.83 CYP2D6 (0.33) ALDH1A1HRH3MEN1KMT2ALGALS9
SCHEMBL10021856 0.82 CYP2D6 (0.32) ALDH1A1HRH3MEN1KMT2ALGALS9
SCHEMBL10053096 0.79 KDM2B (0.32) ALDH1A1MEN1KMT2A
SCHEMBL10021858 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPT
SCHEMBL17936648 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL10021860 0.76 MEN1 (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413192-B1 POLYMERIZABLE MONOMERS SHINETSU CHEMICAL CO (JP) 2016-12-21 EP disclosed
US-8501942-B2 Polymerizable monomers SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8501942-B2 Polymerizable monomers SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20120029193-A1 POLYMERIZABLE MONOMERS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029193-A1 POLYMERIZABLE MONOMERS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
EP-2413192-A1 Polymerizable monomers Shin-Etsu Chemical Co., Ltd. (JP) 2012-02-01 EP 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-20120029193-A1 POLYMERIZABLE MONOMERS C9, CCNA1, H1-0 ALDH1A1 619/4885HRH3 25/4885MEN1 87/4885

“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.