SCHEMBL6841233

SCHEMBL6841233

O=C(CCCl)c1ccc2oc3ccc(C(=O)CCCl)cc3c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 7/20 0.55
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
AKR1B1 P15121 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GFER P55789 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGDR Q13258 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SNCA P37840 2/20 0.43

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
SCHEMBL11838004 0.93 TTR (0.45) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL8912973 0.86 TTR (0.51) TTRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11552376 0.83 TTR (0.43) TTRNPC1RAB9AKDM4EALDH1A1
SCHEMBL11551446 0.82 TTR (0.42) TTRNPC1RAB9AMAPTKDM4E
SCHEMBL11801191 0.80 TTR (0.55) TTRNPC1RAB9AAKR1B1MAPT
SCHEMBL11550016 0.79 ALDH1A1 (0.54) TTRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11749377 0.78 TTR (0.63) TTRNPC1RAB9AAKR1B1MAPT
SCHEMBL11798714 0.76 NPC1 (0.54) TTRNPC1RAB9AAKR1B1MAPT
SCHEMBL11868149 0.76 TTR (0.64) TTRNPC1RAB9AAKR1B1KDM4E
SCHEMBL6841232 0.76 ALDH1A1 (0.57) MAPTGFERALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063785-A1 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use GUILFORD PHARMACEUTICALS, INC. 2004-04-01 US disclosed
EP-1360167-A1 SYMMETRICALLY DISUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING POLY (ADP-RIBOSE) GLYCOHYDROLASE, AND METHODS FOR THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
US-6635786-B2 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use GUILFORD PHARMACEUTICALS, INC. 2003-10-21 US disclosed
US-20020132852-A1 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use GUILFORD PHARMACEUTICALS, INC. 2002-09-19 US disclosed
WO-2002057211-A1 SYMMETRICALLY DISUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING POLY (ADP-RIBOSE) GLYCOHYDROLASE, AND METHODS FOR THEIR USE GUILFORD PHARMACEUTICALS, INC. (US) 2002-07-25 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 (2 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-20040063785-A1 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use PARG, PARP1, PARP11 TTR 3454/4885NPC1 969/4885RAB9A 2581/4885
US-20020132852-A1 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use PARG, PARP1, PARP11 TTR 3454/4885NPC1 969/4885RAB9A 2581/4885

“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.