SCHEMBL17214432

SCHEMBL17214432

CCCOCCOc1cccc(C)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 1/20 0.50
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 3/20 0.48
F2 P00734 1/20 0.48
RAB9A P51151 1/20 0.48
ACHE P22303 1/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL12206636 1.00 MAPK1 (0.61) MAPK1TDP1L3MBTL1DRD2DRD4
SCHEMBL23267298 1.00 MAPK1 (0.61) MAPK1TDP1L3MBTL1DRD2DRD4
SCHEMBL23267599 0.93 MAPK1 (0.55) MAPK1TDP1L3MBTL1DRD2DRD4
SCHEMBL30167657 0.89 DRD2 (0.57) MAPK1TDP1L3MBTL1DRD2DRD4
SCHEMBL129750 0.89 DRD2 (0.57) MAPK1TDP1L3MBTL1DRD2DRD4
SCHEMBL7387403 0.87 L3MBTL1 (0.59) MAPK1TDP1L3MBTL1DRD2DRD4
Ammonia Solution, Strong SCHEMBL9124747 0.87 DRD2 (0.56) MAPK1TDP1L3MBTL1DRD2DRD4
SCHEMBL13933188 0.87 TSHR (0.58) MAPK1TDP1L3MBTL1DRD2DRD4
SCHEMBL13933189 0.87 TSHR (0.58) MAPK1TDP1L3MBTL1DRD2DRD4
SCHEMBL29381067 0.87 DRD2 (0.62) MAPK1TDP1L3MBTL1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 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 (2 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPK1 1698/4885TDP1 1207/4885L3MBTL1 2556/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAPK1 1698/4885TDP1 1207/4885L3MBTL1 2556/4885

“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.