SCHEMBL2910922

SCHEMBL2910922

Cc1c(C)c2c(c(C)c1OCCCc1ccccc1)C(c1ccc(C(C)C)cc1)C(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 2/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL2908212 0.95 ACHE (0.32) RAB9AALDH1A1L3MBTL1CHRM2CHRM1
SCHEMBL2912112 0.89 GLRA1 (0.32) TDP2ALDH1A1L3MBTL1LMNAHTT
SCHEMBL2909214 0.87 SCN8A (0.30)
SCHEMBL2913727 0.80 CACNA1B (0.31)
SCHEMBL2905166 0.80 ACHE (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4038640 0.79 NFE2L2 (0.31)
SCHEMBL2911973 0.79 NPC1 (0.35) NPC1SMN1; SMN2ALDH1A1
SCHEMBL2910763 0.79 CYP27B1 (0.33)
SCHEMBL2910781 0.78 RXRA (0.34) TDP2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2910518 0.77 ALOX5 (0.36)

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 TDP2 3710/4885NPC1 2368/4885RAB9A 1372/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 TDP2 3710/4885NPC1 2368/4885RAB9A 1372/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO TDP2 4359/4885NPC1 2467/4885RAB9A 2438/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 TDP2 3539/4885NPC1 2378/4885RAB9A 2371/4885

“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.