SCHEMBL12863835

SCHEMBL12863835

CC(C)CCOC(=O)CCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HRH3 Q9Y5N1 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ HRH1 P35367 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CYP2C9 P11712 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
SCHEMBL12863834 0.91 ALDH1A1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2CYP1A2MAPK1
SCHEMBL12863854 0.88 PAOX (0.45) ALDH1A1L3MBTL1SMN1; SMN2HRH3HRH1
SCHEMBL12844635 0.82 CYP19A1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2HRH1HRH2
SCHEMBL23453791 0.82 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1SMN1; SMN2CYP1A2MAPK1
SCHEMBL12863836 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2MAPK1KMT2A
SCHEMBL15027779 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1SMN1; SMN2CYP1A2MAPK1
SCHEMBL10081284 0.80 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1SMN1; SMN2CYP1A2MAPK1
SCHEMBL23453781 0.79 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1SMN1; SMN2CYP1A2MAPK1
SCHEMBL1863035 0.79 CYP1A2 (0.56) ALDH1A1L3MBTL1SMN1; SMN2CYP1A2MAPK1
SCHEMBL856060 0.79 CYP1A2 (0.56) ALDH1A1L3MBTL1SMN1; SMN2CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US 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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ALDH1A1 350/4885L3MBTL1 2568/4885SMN1; SMN2 1880/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ALDH1A1 350/4885L3MBTL1 2568/4885SMN1; SMN2 1880/4885

“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.

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