SCHEMBL4025858

SCHEMBL4025858

CC(N)CCCCCOc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.46
SLC2A1 P11166 1/20 0.46
ALDH3A1 P30838 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL7863953 0.86 RARB (0.54) HRH3ALDH3A1DRD2DRD4DRD3
SCHEMBL7861361 0.86 RARB (0.54) HRH3ALDH3A1DRD2DRD4DRD3
SCHEMBL7786856 0.84 ALDH1A1 (0.55) SLC2A1
SCHEMBL7862607 0.84 RARB (0.55) HRH3ALDH3A1DRD2DRD4DRD3
SCHEMBL30514014 0.81 HRH3 (0.61) HRH3ALDH3A1DRD2DRD4DRD3
SCHEMBL11815991 0.81 HRH3 (0.61) HRH3ALDH3A1DRD2DRD4DRD3
SCHEMBL5679133 0.80 KCNA3 (0.61) DRD2DRD4DRD3
SCHEMBL5683038 0.80 KCNA3 (0.61) DRD2DRD4DRD3
SCHEMBL9770302 0.79 ALDH3A1 (0.62) HRH3ALDH3A1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5682884 0.79 KCNA3 (0.59) SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
EP-2096107-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2009-09-02 EP disclosed
EP-1674457-B1 Derivatives of squaric acid with anti-proliferative activity GPC BIOTECH AG (DE) 2009-06-03 EP disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US disclosed
EP-1674457-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2006-06-28 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 (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-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity SQLE, FDFT1, DLD HRH3 3983/4885SLC2A1 621/4885ALDH3A1 232/4885

“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.