SCHEMBL2914192

SCHEMBL2914192

COc1ccc(COc2c(C)c(C)c3c(c2C)C(c2ccc(N4CCOCC4)cc2)C(C)(C)O3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
P2RY12 Q9H244 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 7/20 0.38
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
AKR1C3 P42330 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.35
PRKDC P78527 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 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
SCHEMBL2912909 0.92 CCR4 (0.42) RAB9ASMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL2910781 0.82 RXRA (0.34) RAB9ASMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL2908368 0.82 APP (0.37) RAB9AHPGDMAPTALDH1A1KDM4E
SCHEMBL2473689 0.78 ALDH1A1 (0.38) RAB9ASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL2472828 0.76 GFER (0.39) SMN1; SMN2MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL4037446 0.76 ALDH1A1 (0.39) RAB9ASMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL2472850 0.74 L3MBTL1 (0.39) HPGDMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2471507 0.74 MAPT (0.40) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL2470586 0.74 PTGS1 (0.43) RAB9ASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL5340946 0.74 GFER (0.39) SMN1; SMN2MAPTALDH1A1L3MBTL1KDM4E

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 RAB9A 1372/4885P2RY12 2060/4885SMN1; SMN2 3766/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 RAB9A 1372/4885P2RY12 2060/4885SMN1; SMN2 3766/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO RAB9A 2438/4885P2RY12 4164/4885SMN1; SMN2 376/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 RAB9A 2371/4885P2RY12 4615/4885SMN1; SMN2 528/4885

“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.