SCHEMBL4445157

SCHEMBL4445157

O=C1OC(=Cc2cccc(C(=O)O)c2)C2=C1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 1/20 0.46
▸ FBP1 P09467 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ F2 P00734 3/20 0.42
▸ F10 P00742 3/20 0.42
▸ SRD5A1 P18405 1/20 0.41
▸ TTR P02766 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ P4HB P07237 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ STS P08842 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5090459 1.00 UNG (0.46) UNGFBP1TDP1F2F10
SCHEMBL4438203 0.85 TDP1 (0.46) TDP1F2F10P4HBPARP1
SCHEMBL4438205 0.85 TDP1 (0.46) TDP1F2F10P4HBPARP1
SCHEMBL1251655 0.81 ALDH1A1 (0.53) TDP1ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL1251658 0.81 ALDH1A1 (0.53) TDP1ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL2206946 0.79 ALDH1A1 (0.49) FBP1TDP1ALDH1A1HPGDCYP1A2
SCHEMBL8403906 0.79 AKR1B1 (0.43) TDP1F2F10ALDH1A1HPGD
SCHEMBL15908000 0.79 HSD11B1 (0.53) ALDH1A1KMT2A
SCHEMBL2206943 0.79 ALDH1A1 (0.49) FBP1TDP1ALDH1A1HPGDCYP1A2
SCHEMBL5130663 0.79 NFE2L2 (0.34) TDP1F2F10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283222-B2 Inhibitors of poly(ADP-ribose)polymerase ABBVIE INC. (US) 2016-03-15 — — US disclosed
EP-2698062-B1 Inhibitors of poly(adp-ribose)polymerase ABBVIE INC (US) 2015-06-24 — — EP disclosed
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC. (US) 2014-07-31 — — US disclosed
EP-2698062-A1 Inhibitors of poly(adp-ribose)polymerase Abbvie Inc. (US) 2014-02-19 — — EP disclosed
EP-2120579-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2013-11-13 — — EP disclosed
US-8466150-B2 Inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2013-06-18 — — US disclosed
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 — — EP disclosed
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents ABBOTT LABORATORIES (US) 2008-10-30 — — US disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 — — WO disclosed
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 — — 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-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents PARP1, DPYD, PARP2 UNG 370/4885FBP1 183/4885TDP1 739/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 UNG 22/4885FBP1 600/4885TDP1 29/4885
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 UNG 22/4885FBP1 600/4885TDP1 29/4885

“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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