SCHEMBL2908387

SCHEMBL2908387

CCCCOC(=O)O[CH]C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
EPHX2 P34913 1/20 0.37
NAAA Q02083 4/20 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
SCHEMBL2906496 0.90 HCAR2 (0.34) ATMALDH1A1HCAR2NAAA
SCHEMBL698468 0.83 ALDH1A1 (0.43) ATMALDH1A1HPGDTSHR
SCHEMBL696980 0.81 ALDH1A1 (0.44) ATMALDH1A1TSHR
SCHEMBL698515 0.78 ALDH1A1 (0.44) ATMALDH1A1HCAR2
SCHEMBL4200003 0.75 TSHR (0.38) ALDH1A1HPGDTSHR
SCHEMBL451499 0.75 NAAA (0.56) ATMALDH1A1HPGDTSHREPHX2
SCHEMBL8630971 0.75 NAAA (0.56) ATMALDH1A1HPGDTSHREPHX2
SCHEMBL15914179 0.74 ATM (0.42) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL2349782 0.73 CYP1A2 (0.52) ALDH1A1NAAA
SCHEMBL2908390 0.73 LMNA (0.45) ATMALDH1A1HPGDTSHREPHX2

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
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 ATM 2295/4885ALDH1A1 1514/4885HPGD 380/4885

“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.