SCHEMBL20151840

SCHEMBL20151840

Cc1ccc(C=O)c(OCCCC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
PPARA Q07869 3/20 0.43
CYP2C9 P11712 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C8 P10632 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA1A P35348 1/20 0.43
PPARG P37231 1/20 0.43
HTR2B P41595 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
HPGD P15428 4/20 0.42
HDAC8 Q9BY41 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL20168837 0.86 MAPT (0.49) TSHRSMN1; SMN2CYP1A2TDP1HPGD
SCHEMBL25470720 0.86 PTGDR2 (0.45) SMN1; SMN2CYP1A2HPGDHDAC8MAPT
SCHEMBL20137041 0.84 RXRA (0.38) PPARACYP2C9SMN1; SMN2CYP1A2PPARG
SCHEMBL25470728 0.81 PTGDR2 (0.43) CYP1A2TDP1HPGDHDAC8ALDH1A1
SCHEMBL23087387 0.81 PTGDR2 (0.43) CYP1A2TDP1HPGDHDAC8ALDH1A1
SCHEMBL23087373 0.81 PTGDR2 (0.43) CYP1A2TDP1HPGDHDAC8ALDH1A1
SCHEMBL17821848 0.78 ALDH1A1 (0.43) TSHRCYP2C9SMN1; SMN2CYP1A2TDP1
SCHEMBL15082525 0.77 ALDH1A1 (0.52) TSHRCYP2C9SMN1; SMN2CYP1A2TDP1
SCHEMBL25778864 0.77 PPARG (0.51) TSHRPPARACYP2C9SMN1; SMN2TTR
SCHEMBL25470719 0.76 AKR1C3 (0.40) PPARACYP2C9HDAC8NPC1RAB9A

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-11691975-B2 MAGL inhibitors H. LUNDBECKA/S (DK) 2023-07-04 US disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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 (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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL TSHR 4772/4885PPARA 2252/4885CYP2C9 4338/4885
US-11691975-B2 MAGL inhibitors MAG, MAGI3, MGLL TSHR 4825/4885PPARA 1470/4885CYP2C9 3730/4885

“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.