SCHEMBL1096771

SCHEMBL1096771

CCOC(=O)c1ccc(N2CCCC(O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
HPGD P15428 3/20 0.50
HTT P42858 3/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 7/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSP90AA1 P07900 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
FDFT1 P37268 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL378276 0.95 TDP1 (0.60) TDP1HPGDHTTMEN1KMT2A
SCHEMBL7470844 0.90 ALDH1A1 (0.50) TDP1HPGDHTTMEN1KMT2A
SCHEMBL14637591 0.86 TDP1 (0.54) TDP1HPGDHTTMEN1KMT2A
SCHEMBL382520 0.86 TDP1 (0.54) TDP1HPGDHTTMEN1KMT2A
SCHEMBL7658812 0.86 TDP1 (0.54) TDP1HPGDHTTMEN1KMT2A
SCHEMBL3898465 0.86 HPGD (0.61) TDP1HPGDHTTMEN1KMT2A
SCHEMBL28242074 0.86 HPGD (0.61) TDP1HPGDHTTMEN1KMT2A
SCHEMBL20187714 0.84 HPGD (0.59) TDP1HPGDHTTMEN1KMT2A
SCHEMBL3900474 0.84 SIRT2 (0.60) TDP1HPGDHTTMEN1KMT2A
SCHEMBL3457437 0.83 HPGD (0.55) TDP1HPGDHTTMEN1KMT2A

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-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 EP disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
EP-2178851-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Eli Lilly & Company (US) 2010-04-28 EP disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 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-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 TDP1 4507/4885HPGD 770/4885HTT 4419/4885

“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.