SCHEMBL7387403

SCHEMBL7387403

CCOCCOc1cccc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
MAPK1 P28482 1/20 0.59
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 1/20 0.51
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 3/20 0.49
F2 P00734 1/20 0.49
RAB9A P51151 1/20 0.49
ACHE P22303 1/20 0.48
HTT P42858 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL15219217 0.88 KDM4E (0.57) L3MBTL1TDP1MAPK1KDM4EKMT2A
SCHEMBL29381067 0.88 DRD2 (0.62) L3MBTL1TDP1MAPK1DRD2DRD4
SCHEMBL27465 0.88 DRD2 (0.62) L3MBTL1TDP1MAPK1DRD2DRD4
SCHEMBL12206636 0.87 MAPK1 (0.61) L3MBTL1TDP1MAPK1DRD2DRD4
SCHEMBL17214432 0.87 MAPK1 (0.61) L3MBTL1TDP1MAPK1DRD2DRD4
SCHEMBL23267298 0.87 MAPK1 (0.61) L3MBTL1TDP1MAPK1DRD2DRD4
SCHEMBL16667635 0.86 KDM4E (0.59) L3MBTL1TDP1MAPK1KDM4EKMT2A
SCHEMBL16669059 0.86 KDM4E (0.59) L3MBTL1TDP1MAPK1KDM4EKMT2A
SCHEMBL13645892 0.84 MAPK1 (0.61) L3MBTL1TDP1MAPK1DRD2DRD4
SCHEMBL14972871 0.84 MAPK1 (0.61) L3MBTL1TDP1MAPK1DRD2DRD4

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-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-6420418-B1 INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE MERCK & CO., INC. 2002-07-16 US disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 WO 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-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF ICOS, CD4, CD2 L3MBTL1 2644/4885TDP1 3462/4885MAPK1 723/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 L3MBTL1 3585/4885TDP1 4683/4885MAPK1 1183/4885

“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.