SCHEMBL2912909

SCHEMBL2912909

COc1ccc(COc2c(C)c(C)c3c(c2C)C(c2ccc(N4CCN(C)CC4)cc2)C(C)(C)O3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.42
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
CA12 O43570 4/20 0.37
CA9 Q16790 4/20 0.37
CSF1R P07333 1/20 0.35
HTR7 P34969 3/20 0.35
DRD2 P14416 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL2914192 0.92 RAB9A (0.42) ADRA1AADRA1DADRA1BKDM4EALDH1A1
SCHEMBL2910781 0.81 RXRA (0.34) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2908368 0.81 APP (0.37) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL2473689 0.80 ALDH1A1 (0.38) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL2905550 0.77 CCR4 (0.35) CCR4HRH4ALDH1A1SMN1; SMN2NPC1
SCHEMBL2472828 0.77 GFER (0.39) KDM4EALDH1A1MAPTSMN1; SMN2HTR7
SCHEMBL4036087 0.76 ESR2 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2471507 0.76 MAPT (0.40) ALDH1A1MAPTDRD2
SCHEMBL2472850 0.76 L3MBTL1 (0.39) KDM4EALDH1A1MAPTHPGD
SCHEMBL2470586 0.75 PTGS1 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP disclosed
US-7750037-B2 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-06 US disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 US disclosed
US-7008950-B1 Benzofurans as suppressors of neurodegeneration TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-07 US disclosed
US-20050148650-A1 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 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 (4 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-20050148650-A1 Antidepressant AKT1S1, AKT1, AKT2 CCR4 3751/4885ADRA1A 284/4885ADRA1D 587/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 CCR4 3751/4885ADRA1A 284/4885ADRA1D 587/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO CCR4 1207/4885ADRA1A 1383/4885ADRA1D 1843/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 CCR4 1222/4885ADRA1A 1812/4885ADRA1D 2183/4885

“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.