SCHEMBL2906271

SCHEMBL2906271

O=C(O[CH]c1ccccc1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NSD2 O96028 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL6252722 0.81 KMT2A (0.47) RAD51MAPTALDH1A1KMT2ATDP1
SCHEMBL1051575 0.79 TDP1 (0.44) RAD51MAPTALDH1A1KMT2ATDP1
SCHEMBL27352197 0.78 TDP1 (0.54) MAPTALDH1A1KMT2ATDP1ATM
SCHEMBL9353455 0.78 TDP1 (0.54) MAPTALDH1A1KMT2ATDP1ATM
SCHEMBL18073 0.78 TDP1 (0.54) MAPTALDH1A1KMT2ATDP1ATM
SCHEMBL9353461 0.78 TDP1 (0.54) MAPTALDH1A1KMT2ATDP1ATM
SCHEMBL9241160 0.78 TDP1 (0.54) MAPTALDH1A1KMT2ATDP1ATM
SCHEMBL2907648 0.78 KMT2A (0.44) MAPTALDH1A1KMT2ATDP1HPGD
SCHEMBL444563 0.78 MAPT (0.44) RAD51MAPTALDH1A1KMT2ATDP1
SCHEMBL165891 0.78 TDP1 (0.42) RAD51MAPTALDH1A1KMT2ATDP1

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 RAD51 4359/4885MAPT 2379/4885ALDH1A1 1514/4885

“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.