SCHEMBL2912384

SCHEMBL2912384

COc1ccc(C(=O)Oc2c(C)c(C)c3oc(C)c(-c4ccccc4)c3c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
CYP2C19 P33261 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
NFKB1 P19838 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 8/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2907418 0.91 SMN1; SMN2 (0.50) ALDH1A1HPGDCYP2C19SMN1; SMN2CYP1A2
SCHEMBL4038822 0.81 KDM4E (0.45) ALDH1A1HPGDSMN1; SMN2CYP3A4MAPT
SCHEMBL10490971 0.70 ESR1 (0.56) ALDH1A1HPGDCYP2C19SMN1; SMN2CYP1A2
SCHEMBL22416335 0.69 LMNA (0.60) ALDH1A1CYP2C19SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8917313 0.69 LMNA (0.60) ALDH1A1CYP2C19SMN1; SMN2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2911758 0.69 MAPT (0.42) ALDH1A1HPGDCYP2C19CYP1A2CYP2C9
SCHEMBL2911738 0.69 LMNA (0.51) ALDH1A1HPGDCYP2C19SMN1; SMN2CYP1A2
SCHEMBL17698882 0.68 KMT2A (0.44) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4042523 0.68 KDM4E (0.49) ALDH1A1HPGDSMN1; SMN2CYP3A4MAPT
SCHEMBL3668413 0.68 ALDH1A1 (0.46) ALDH1A1HPGDCYP2C19SMN1; SMN2CYP1A2

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 12 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
EP-0988289-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-29 EP disclosed
WO-1998055454-A2 BENZOFURANS AND BENZOTHOPHENES AS SUPPRESSORS OF NEURODEGENERATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-10 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 (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 ALDH1A1 3081/4885HPGD 1612/4885CYP2C19 875/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 ALDH1A1 3081/4885HPGD 1612/4885CYP2C19 875/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO ALDH1A1 359/4885HPGD 854/4885CYP2C19 4454/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 ALDH1A1 311/4885HPGD 1083/4885CYP2C19 3845/4885

“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.