SCHEMBL4040122

SCHEMBL4040122

Cc1c(C)c2c(c(C)c1O)C(c1ccc(C(C)C)cc1)C1(CCN(Cc3ccccc3)CC1)O2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 2/20 0.39
CYP2D6 P10635 1/20 0.39
ACHE P22303 1/20 0.38
FAAH O00519 1/20 0.37
HSD11B1 P28845 2/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LTA4H P09960 1/20 0.36
OPRL1 P41146 1/20 0.36
CCR3 P51677 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4037028 0.87 ALDH1A1 (0.38) ALDH1A1LMNABCHECYP2D6ACHE
SCHEMBL2914178 0.81 HRH3 (0.40) ALDH1A1CYP2D6SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4038774 0.77
SCHEMBL4042911 0.72 HPGD (0.32)
SCHEMBL3594071 0.71 HPGD (0.32)
SCHEMBL4821997 0.70
SCHEMBL4036102 0.70 HPGD (0.33)
SCHEMBL4035871 0.69 SIGMAR1 (0.50) ALDH1A1LMNACYP2D6SIGMAR1OPRL1
SCHEMBL8931179 0.69 SIGMAR1 (0.44) LMNAACHETMEM97SIGMAR1
SCHEMBL4821994 0.68 TACR1 (0.35) ALDH1A1BCHEACHETMEM97MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531545-B2 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-12 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-7008950-B1 Benzofurans as suppressors of neurodegeneration TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-07 US 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 (1 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-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 ALDH1A1 311/4885LMNA 1890/4885BCHE 1412/4885

“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.