SCHEMBL3043590

SCHEMBL3043590

CCCC(C=O)CCC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 4/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 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
SCHEMBL11359291 0.87 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2NR1I2
SCHEMBL17759039 0.83 MGAM (0.41) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL29004671 0.83 TSHR (0.44) L3MBTL1KMT2APOLBALDH1A1TSHR
SCHEMBL12954777 0.79 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2NR1I2
SCHEMBL19718535 0.77 L3MBTL1 (0.41) L3MBTL1KMT2APOLBCYP1A2NR1I2
SCHEMBL7059493 0.77 L3MBTL1 (0.47) L3MBTL1KMT2APOLBCYP1A2NR1I2
SCHEMBL11318980 0.76 HDAC1 (0.44) KMT2ACYP1A2ALDH1A1TSHRTDP1
SCHEMBL4820736 0.76 TSHR (0.40) ALDH1A1TRPA1TSHRCYP3A4TDP1
SCHEMBL18534128 0.76 TDP1 (0.39) L3MBTL1KMT2APOLBCYP1A2NR1I2
SCHEMBL6160354 0.76 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2NR1I2

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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US claimed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP claimed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 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 (1 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 L3MBTL1 4838/4885KMT2A 1778/4885POLB 4412/4885

“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.