SCHEMBL4818909

SCHEMBL4818909

CCOC(=O)CC(N)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 1/20 0.40
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
METAP2 P50579 1/20 0.37
EPHX1 P07099 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37

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
Hydrochloric Acid SCHEMBL7656869 0.98 CYP2D6 (0.44) CYP2D6ALDH1A1NPSR1L3MBTL1THRB
SCHEMBL334982 0.91 CYP2D6 (0.42) CYP2D6ALDH1A1L3MBTL1TSHRKMT2A
Hydrochloric Acid SCHEMBL334981 0.89 CYP2D6 (0.41) CYP2D6ALDH1A1L3MBTL1TSHRKMT2A
Hydrochloric Acid SCHEMBL30141835 0.89 CYP2D6 (0.41) CYP2D6ALDH1A1L3MBTL1TSHRKMT2A
Hydrochloric Acid SCHEMBL30080034 0.89 CYP2D6 (0.41) CYP2D6ALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL10595888 0.86 CYP2D6 (0.41) CYP2D6ALDH1A1NPSR1L3MBTL1THRB
SCHEMBL4821191 0.82 EPHX2 (0.45) ALDH1A1NPSR1KMT2AEPHX1
SCHEMBL17857467 0.81 CYP2D6 (0.36) CYP2D6ALDH1A1L3MBTL1TSHRKMT2A
Hydrochloric Acid SCHEMBL8325862 0.81 EPHX2 (0.44) ALDH1A1NPSR1KMT2AEPHX1
Hydrochloric Acid SCHEMBL5523650 0.81 EPHX2 (0.44) ALDH1A1NPSR1KMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402696-B2 Benzene compounds AJINOMOTO CO., INC. (JP) 2008-07-22 US disclosed
US-20070105899-A1 Benzene compounds AJINOMOTO CO., INC. (JP) 2007-05-10 US disclosed
WO-1992021361-A1 TERMINALLY MODIFIED TRI-, TETRA- AND PENTAPEPTIDE ANAPHYLATOXIN RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1992-12-10 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-20070105899-A1 Benzene compounds ACACB, ACACA, FABP4 CYP2D6 605/4885ALDH1A1 115/4885NPSR1 3935/4885

“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.