SCHEMBL2907815

SCHEMBL2907815

[CH2]OC(=O)CCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
ATM Q13315 1/20 0.45
MIF P14174 1/20 0.44
LMNA P02545 1/20 0.43
KLK7 P49862 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD11B1 P28845 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP1 P29466 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
SCHEMBL697220 0.98 HPGD (0.46) HPGDMEN1KMT2AMAPTATM
SCHEMBL697965 0.94 HPGD (0.41) HPGDMEN1KMT2AMAPTATM
SCHEMBL698489 0.89
SCHEMBL696348 0.86 EPHX1 (0.40) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL10623651 0.83 HPGD (0.52) HPGDMEN1KMT2AMAPTATM
SCHEMBL10557471 0.83 HPGD (0.52) HPGDMEN1KMT2AMAPTATM
SCHEMBL9004410 0.81 HPGD (0.50) HPGDMEN1KMT2AMAPTATM
SCHEMBL11843186 0.80 HPGD (0.48) HPGDMEN1KMT2AMAPTATM
SCHEMBL19452478 0.80 HPGD (0.48) HPGDMEN1KMT2AMAPTATM
SCHEMBL4005674 0.80 MAPT (0.50) HPGDMEN1KMT2AMAPTATM

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 7 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-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US 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
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 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 (3 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 HPGD 2124/4885MEN1 493/4885KMT2A 945/4885
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 HPGD 380/4885MEN1 1102/4885KMT2A 4109/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 HPGD 2124/4885MEN1 493/4885KMT2A 945/4885

“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.