SCHEMBL497871

SCHEMBL497871

Cc1cc(O)ccc1NCc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLK1 P53350 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
ESRRB O95718 1/20 0.41
ESRRG P62508 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL498132 0.86 CA1 (0.48) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL2772502 0.83 MAPT (0.55) NR1H4MAPTKMT2AMEN1TDP1
SCHEMBL497821 0.80 NR1H4 (0.48) NR1H4MAPTKMT2AMEN1TDP1
SCHEMBL39526 0.78 CA12 (0.61) MAPTKMT2AMEN1TDP1LMNA
SCHEMBL27500611 0.77 CA12 (0.59) MAPTKMT2AMEN1TDP1LMNA
Hydroquinone SCHEMBL9845304 0.77 CA12 (0.59) MAPTKMT2AMEN1TDP1LMNA
SCHEMBL27659033 0.77 CA12 (0.59) MAPTKMT2AMEN1TDP1LMNA
SCHEMBL2773450 0.76 CA1 (0.46) MAPTKMT2AMEN1LMNARAB9A
SCHEMBL29030199 0.76 NR1H4 (0.58) NR1H4KMT2APLK1BCL2L1MCL1
SCHEMBL498151 0.76 CA1 (0.44) MAPTKMT2AMEN1ALDH1A1HPGD

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-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR 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-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 NR1H4 1/4885MAPT 4429/4885KMT2A 4324/4885

“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.