SCHEMBL4035933

SCHEMBL4035933

Cc1c(C)c2c(c(C)c1O)CC(C)(CN1CCN(c3ccccc3)CC1)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
TSHR P16473 3/20 0.50
DRD2 P14416 2/20 0.50
USP2 O75604 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
HIF1A Q16665 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADRA1D P25100 1/20 0.50
MAPK3 P27361 1/20 0.50
HTR2C P28335 1/20 0.50
MC4R P32245 1/20 0.50
HRH1 P35367 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL9689567 0.89 CYP3A4 (0.63) ALOX15TSHRDRD2USP2CYP3A4
SCHEMBL6983488 0.86 DRD2 (0.41) ALOX15TSHRDRD2USP2CYP3A4
SCHEMBL6985836 0.83 DRD2 (0.40) ALOX15TSHRDRD2USP2CYP3A4
SCHEMBL6983850 0.82 MEN1 (0.39) DRD2USP2HTR2CDRD3HTR2B
Hydrochloric Acid SCHEMBL6980227 0.82 DRD2 (0.40) ALOX15TSHRDRD2USP2CYP3A4
Hydrochloric Acid SCHEMBL6980238 0.81 ALDH1A1 (0.40) DRD2USP2HTR2CDRD3HTR2B
SCHEMBL2911210 0.81 DRD4 (0.37) ALOX15TSHRDRD2USP2CYP3A4
SCHEMBL9689597 0.77 USP2 (0.60) ALOX15TSHRDRD2USP2CYP3A4
SCHEMBL10365792 0.76 CYP3A4 (0.58) ALOX15TSHRDRD2USP2CYP3A4
SCHEMBL9690241 0.74 USP2 (0.66) ALOX15TSHRDRD2USP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO ALOX15 1832/4885TSHR 1762/4885DRD2 2003/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 ALOX15 2736/4885TSHR 2575/4885DRD2 1651/4885

“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.