SCHEMBL2773315

SCHEMBL2773315

CCCC(=O)Nc1cc(CO)ccc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.56
ALDH1A1 P00352 10/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 3/20 0.51
PKM P14618 2/20 0.51
KMT2A Q03164 4/20 0.48
BDKRB1 P46663 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PRMT5 O14744 1/20 0.46
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45

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
SCHEMBL2772233 0.89 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL14513124 0.84 ALDH1A1 (0.77) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2771144 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2389591 0.82 SMN1; SMN2 (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2772761 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6477497 0.76 CA12 (0.55) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL13265935 0.76 ALDH1A1 (0.73) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2774256 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1100762 0.73 CA12 (0.62) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL498143 0.73 CA12 (0.52) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 KDM4E 4469/4885ALDH1A1 2072/4885HPGD 1061/4885

“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.