SCHEMBL2907535

SCHEMBL2907535

CC(C)COC(=O)O[CH]c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.42
P2RX4 Q99571 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MAOB P27338 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
SCHEMBL7538145 0.84 ALDH1A1 (0.47) ALDH1A1TSHRHPGDLMNAP2RX4
SCHEMBL2900868 0.81 MEN1 (0.56) ALDH1A1TSHRHPGDLMNAMEN1
SCHEMBL2907648 0.78 KMT2A (0.44) ALDH1A1TSHRHPGDKMT2AKDM4E
SCHEMBL2906456 0.78 LMNA (0.51) ALDH1A1TSHRHPGDLMNAMEN1
SCHEMBL12493341 0.78 TSHR (0.47) ALDH1A1TSHRHPGDLMNAP2RX4
SCHEMBL2908043 0.77 TSHR (0.44) ALDH1A1TSHRHPGDLMNARAB9A
SCHEMBL4200464 0.77 ELANE (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL2906150 0.76 MIF (0.43) ALDH1A1TSHRHPGDLMNAMEN1
SCHEMBL2544758 0.75 TSHR (0.51) ALDH1A1TSHRHPGDLMNAMEN1
Phenol SCHEMBL2361531 0.75 ALDH1A1 (0.56) ALDH1A1TSHRHPGDLMNAP2RX4

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 ALDH1A1 1514/4885TSHR 2112/4885HPGD 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.