SCHEMBL4438203

SCHEMBL4438203

COC(=O)c1cccc(/C=C2\OC(=O)C3=C2CCCC3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ P4HB P07237 3/20 0.43
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ HSD17B3 P37058 1/20 0.39
▸ F2 P00734 3/20 0.39
▸ F10 P00742 3/20 0.39

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
SCHEMBL4438205 1.00 TDP1 (0.46) TDP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL5090459 0.85 UNG (0.46) TDP1P4HBMEN1KMT2AF2
SCHEMBL4445157 0.85 UNG (0.46) TDP1P4HBMEN1KMT2AF2
SCHEMBL17684730 0.79 TDP1 (0.51) TDP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL2206946 0.78 ALDH1A1 (0.49) TDP1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL2206943 0.78 ALDH1A1 (0.49) TDP1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL2948778 0.76 TDP1 (0.53) TDP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL8403906 0.75 AKR1B1 (0.43) TDP1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL15908000 0.75 HSD11B1 (0.53) MAPTKMT2AHSD17B3
SCHEMBL1251655 0.74 ALDH1A1 (0.53) TDP1SMN1; SMN2MAPTPOLBMEN1

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 TDP1 739/4885P4HB 3285/4885GRIN2D 3073/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 TDP1 29/4885P4HB 3670/4885GRIN2D 3490/4885
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 TDP1 29/4885P4HB 3670/4885GRIN2D 3490/4885

“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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