SCHEMBL3729774

SCHEMBL3729774

CC(=O)OOc1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 4/20 0.45
LMNA P02545 3/20 0.45
BACE1 P56817 2/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
FABP7 O15540 1/20 0.43
FABP3 P05413 1/20 0.43
FABP5 Q01469 1/20 0.43
HTT P42858 2/20 0.42

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
SCHEMBL8423160 0.82 KAT6A (0.38) L3MBTL1TDP1MAPK1LMNABACE1
SCHEMBL4974891 0.82 PTGDR2 (0.60) L3MBTL1TDP1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL28047804 0.81 MAPK1 (0.43) L3MBTL1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3728321 0.81 KDM4E (0.58) L3MBTL1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8423155 0.80 BACE1 (0.42) L3MBTL1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9180717 0.80 LMNA (0.55) L3MBTL1TDP1KDM4EALDH1A1SMN1; SMN2
Bicarbonate SCHEMBL9330276 0.79 KDM4E (0.56) L3MBTL1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5967718 0.79 PTGDR2 (0.57) ALDH1A1LMNABACE1TSHRRAB9A
SCHEMBL28008237 0.78 KDM4E (0.46) L3MBTL1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23358801 0.77 HTT (0.45) L3MBTL1TDP1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 L3MBTL1 3539/4885TDP1 1661/4885KDM4E 1233/4885

“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.