SCHEMBL3730440

SCHEMBL3730440

CC(N)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.67
NR1H2 P55055 1/20 0.62
ABHD6 Q9BV23 4/20 0.46
MAPK1 P28482 2/20 0.44
HDAC1 Q13547 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NAMPT P43490 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 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
SCHEMBL29838642 0.89 ESR2 (0.69) ESR2NR1H2ABHD6MAPK1HDAC1
SCHEMBL16775738 0.85 NR1H2 (0.69) ESR2NR1H2ABHD6MAPK1HDAC1
SCHEMBL25176924 0.84 NR1H2 (0.67) ESR2NR1H2ABHD6MAPK1HDAC1
SCHEMBL30097009 0.84 NR1H2 (0.67) ESR2NR1H2ABHD6MAPK1HDAC1
SCHEMBL3730293 0.84 ESR2 (0.62) ESR2NR1H2
SCHEMBL3730457 0.83 ESR2 (0.61) ESR2NR1H2ABHD6MAPK1HDAC1
SCHEMBL29377835 0.82 NR1H2 (0.90) ESR2NR1H2ABHD6MAPK1HDAC1
SCHEMBL61143 0.82 NR1H2 (0.90) ESR2NR1H2ABHD6MAPK1HDAC1
SCHEMBL31067462 0.82 ESR2 (0.74) ESR2NR1H2ABHD6MAPK1HDAC1
SCHEMBL19660818 0.82 ESR2 (0.60) ESR2NR1H2ABHD6MAPK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829070-B2 molar excess of anionic groups; acrylic acid or methacrylic acid; (meth)acrylates; free radically-polymerizable unsaturated amino monomer; water soluble; elastic and strong hairspray; coating material for a solid dosage form; adhesive BASF SE (DE) 2010-11-09 US claimed
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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 (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-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC ESR2 3134/4885NR1H2 575/4885ABHD6 638/4885

“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.