SCHEMBL4577771

SCHEMBL4577771

COC(=O)Cc1cccc(OCCCN(C)CCO)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
ACHE P22303 8/20 0.50
BCHE P06276 4/20 0.49
LTA4H P09960 7/20 0.49
CYP2D6 P10635 1/20 0.45
POLB P06746 1/20 0.45
NR1H3 Q13133 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
SCHEMBL14025120 0.89 ACHE (0.49) ACHEBCHELTA4HCYP2D6NR1H3
SCHEMBL25495948 0.87 KDM4E (0.56) ALDH1A1ACHEBCHECYP2D6NR1H3
SCHEMBL28467850 0.83 CHRNB2 (0.56) ALDH1A1ACHELTA4HCYP2D6
SCHEMBL13849587 0.82 LTA4H (0.51) ALDH1A1ACHEBCHELTA4HCYP2D6
SCHEMBL7804122 0.80 PLA2G4B (0.60) ALDH1A1CYP2D6
SCHEMBL2767522 0.80 SLC7A5 (0.48) ALDH1A1CYP2D6POLB
SCHEMBL3979830 0.79 SLC7A5 (0.47) ALDH1A1CYP2D6POLB
SCHEMBL3984588 0.79 SLC7A5 (0.50) ALDH1A1CYP2D6POLBNR1H3
SCHEMBL3868045 0.79 SLC7A5 (0.47) ALDH1A1CYP2D6POLBNR1H3
SCHEMBL14025014 0.79 SLC7A5 (0.50) ALDH1A1ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 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 (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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 ALDH1A1 97/4885ACHE 3603/4885BCHE 3705/4885

“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.