SCHEMBL3759214

SCHEMBL3759214

O=C(O)c1ccc(-c2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.88
RXRB P28702 6/20 0.88
RXRG P48443 5/20 0.88
PTGER1 P34995 6/20 0.70
MCL1 Q07820 1/20 0.64
HPGD P15428 2/20 0.61
NR4A1 P22736 1/20 0.61
NR4A2 P43354 1/20 0.61
NR4A3 Q92570 1/20 0.61
FEN1 P39748 1/20 0.59
PTGER4 P35408 1/20 0.58
PTGER3 P43115 1/20 0.58
PTGER2 P43116 1/20 0.58
MAP4K4 O95819 1/20 0.58
KDM4E B2RXH2 1/20 0.56
PSMD14 O00487 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
CRHBP P24387 1/20 0.56
PPARG P37231 1/20 0.56

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
SCHEMBL5099618 0.94 RXRA (0.78) RXRARXRBRXRGPTGER1MCL1
SCHEMBL6606655 0.88 RXRA (0.69) RXRARXRBRXRGPTGER1MCL1
SCHEMBL6605970 0.86 RXRA (0.66) RXRARXRBRXRGPTGER1MCL1
Acetic Acid SCHEMBL5690407 0.84 RXRA (0.72) RXRARXRBRXRGPTGER1MCL1
SCHEMBL5620525 0.84 PTGER1 (0.77) RXRARXRBRXRGPTGER1FEN1
SCHEMBL3798678 0.83 RXRA (0.71) RXRARXRBRXRGPTGER1HPGD
SCHEMBL201074 0.83 RXRA (0.70) RXRARXRBRXRGPTGER1MCL1
SCHEMBL6604669 0.83 RXRA (0.62) RXRARXRBRXRGPTGER1MCL1
SCHEMBL3550156 0.83 RXRA (0.66) RXRARXRBRXRGHPGDKDM4E
SCHEMBL8846090 0.81 RARB (0.65) RXRARXRBRXRGPTGER1FEN1

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-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 RXRA 1377/4885RXRB 1098/4885RXRG 1039/4885

“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.