SCHEMBL2770100

SCHEMBL2770100

CCCCOc1ccc(CBr)cc1C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
PTPN1 P18031 3/20 0.47
KDM4E B2RXH2 3/20 0.46
PTPN11 Q06124 3/20 0.46
PTPN6 P29350 1/20 0.46
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
HSP90AA1 P07900 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
S1PR3 Q99500 1/20 0.43
ESRRA P11474 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 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
SCHEMBL498587 0.90 TDP1 (0.47) ALDH1A1HTTSMN1; SMN2PTPN1KDM4E
SCHEMBL2771522 0.85 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2PTPN1KDM4E
SCHEMBL2772497 0.83 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2KDM4EPTPN11
SCHEMBL31119031 0.82 HPGD (0.54) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL1287529 0.82 HPGD (0.54) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL13411871 0.82 MAPT (0.54) ALDH1A1HTTSMN1; SMN2PTPN1KDM4E
SCHEMBL12636157 0.82 KDM4E (0.48) ALDH1A1HTTSMN1; SMN2KDM4EHPGD
SCHEMBL2772330 0.81 MAPT (0.61) ALDH1A1HTTSMN1; SMN2PTPN1KDM4E
SCHEMBL2056261 0.81 PTPN11 (0.47) ALDH1A1HTTSMN1; SMN2KDM4EPTPN11
SCHEMBL3061455 0.81 MAPT (0.45) ALDH1A1HTTSMN1; SMN2KDM4EMAPT

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 ALDH1A1 2072/4885HTT 4430/4885SMN1; SMN2 4695/4885

“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.