SCHEMBL6283405

SCHEMBL6283405

C=CCOC(=O)COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
MCL1 Q07820 1/20 0.43
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PPARD Q03181 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL903954 0.80 GAA (0.57) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL9542594 0.80 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9407588 0.79 CASP1 (0.59) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL30826239 0.79 SMN1; SMN2 (0.49) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL5690353 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL24871065 0.77 HPGD (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1866841 0.76 CASP1 (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30087171 0.76 LMNA (0.60) KDM4EALDH1A1HSD17B10MCL1LMNA
SCHEMBL114035 0.76 CASP1 (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL13956284 0.76 HPGD (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA

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-6852713-B2 Lactam derivatives and methods of their use ADOLOR CORPORATION (US) 2005-02-08 US disclosed
WO-2004093796-A2 LACTAM DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2004-11-04 WO disclosed
US-20040209857-A1 Lactam derivatives and methods of their use ADOLOR CORPORATION 2004-10-21 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-20040209857-A1 Lactam derivatives and methods of their use MRPL21, SI, PEPD KDM4E 4146/4885ALDH1A1 618/4885HPGD 137/4885

“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.