SCHEMBL6836837

SCHEMBL6836837

O=C(CCCl)c1ccc2c(c1)Cc1cc(C(=O)CCCl)ccc1O2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 14/20 0.43
▸ WNT3A P56704 10/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11733551 0.90 CTNNB1 (0.42) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11801328 0.89 CTNNB1 (0.41) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11750545 0.88 ALDH1A1 (0.49) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL482960 0.81 PTPN1 (0.46) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11797647 0.80 HPGD (0.41) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL15088740 0.80 CTNNB1 (0.60) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11841972 0.78 CTNNB1 (0.44) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11794930 0.78 ALDH1A1 (0.45) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11733570 0.77 HPGD (0.44) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL11752377 0.77 CTNNB1 (0.36) CTNNB1WNT3AHPGDPKMTSHR

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
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
US-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
US-3953602-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-04-27 — — 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 (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 CTNNB1 3852/4885WNT3A 3387/4885HPGD 120/4885
US-20020132852-A1 Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use PARG, PARP1, PARP11 CTNNB1 3852/4885WNT3A 3387/4885HPGD 120/4885

“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.

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