SCHEMBL3914845

SCHEMBL3914845

O=C(O)C1=C(C(=O)Nc2cccc(Oc3ccccc3)c2)CCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.61
PARP15 Q460N3 1/20 0.61
PARP10 Q53GL7 1/20 0.61
DHODH Q02127 8/20 0.59
HPGD P15428 2/20 0.56
NR4A2 P43354 2/20 0.56
NR1H4 Q96RI1 1/20 0.56
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 1/20 0.55
MITF O75030 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
HPSE Q9Y251 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL248368 0.89 DHODH (0.71) PARP1PARP15PARP10DHODHHPGD
SCHEMBL3926504 0.85 DHODH (0.79) PARP1PARP15PARP10DHODHHPGD
SCHEMBL3915670 0.83 DHODH (0.81) PARP1PARP15PARP10DHODHNR4A2
SCHEMBL3919608 0.83 DHODH (0.78) PARP1PARP15PARP10DHODHNR4A2
SCHEMBL8762690 0.80 DHODH (0.76) PARP1PARP15PARP10DHODHHPGD
SCHEMBL3915660 0.80 DHODH (0.58) DHODHNR4A2NR1H4
SCHEMBL3924079 0.80 DHODH (0.72) DHODHNR4A2
SCHEMBL22543145 0.79 NR1H4 (0.78) HPGDNR1H4MAPTRAB9ALMNA
SCHEMBL3915266 0.78 DHODH (0.77) PARP1PARP15PARP10DHODHNR4A2
SCHEMBL3915672 0.78 DHODH (0.60) PARP1PARP15PARP10DHODHHPGD

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
EP-1392642-B1 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-09 EP disclosed
EP-2093214-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2009-08-26 EP disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 US disclosed
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-09-07 US disclosed
CN-1525954-A Novel compounds useful as anti-inflammatory, immunomodulatory and antiproliferative agents 4SC�ɷݹ�˾ 2004-09-01 CN disclosed
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 EP disclosed
WO-2003006425-A9 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-02-26 WO disclosed
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 US disclosed
WO-2003006425-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 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-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, GCDH PARP1 2347/4885PARP15 1803/4885PARP10 1408/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA PARP1 2782/4885PARP15 1934/4885PARP10 1653/4885

“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.