SCHEMBL2912104

SCHEMBL2912104

CC(=O)Nc1ccc(Oc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C(C)(C)O3)c(NC(C)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
ALDH1A1 P00352 5/20 0.37
RORC P51449 6/20 0.36
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.32
ESRRA P11474 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PYGL P06737 1/20 0.30
POLB P06746 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
SCHEMBL2911744 0.75 MAPT (0.38) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL2912111 0.75
SCHEMBL4038640 0.74 NFE2L2 (0.31)
SCHEMBL4092709 0.73 TP53 (0.31) ALDH1A1MAPTLMNA
SCHEMBL2911666 0.72 EDNRA (0.35) ALDH1A1KDM4E
SCHEMBL9667183 0.71 PTPN1 (0.41) POLB
SCHEMBL2910674 0.71 PKM (0.43) ALDH1A1MAPTKDM4EPOLB
SCHEMBL2910809 0.70 MAPT (0.39) ALDH1A1MAPTLMNAKDM4E
SCHEMBL2911427 0.68 LMNA (0.40) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL2909184 0.68 RAB9A (0.41) ALDH1A1MAPTLMNAKDM4E

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 RECQL 2531/4885ALDH1A1 3081/4885RORC 515/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 RECQL 2531/4885ALDH1A1 3081/4885RORC 515/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO RECQL 1796/4885ALDH1A1 359/4885RORC 505/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 RECQL 3313/4885ALDH1A1 311/4885RORC 489/4885

“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.