SCHEMBL498352

SCHEMBL498352

CCOC(OCC)(P=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
RAB9A P51151 4/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.42
TCF4 P15884 2/20 0.41
CTNNB1 P35222 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL27876225 0.86 KIF11 (0.45) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL7751795 0.82 MAPT (0.49) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL27487116 0.79 CFTR (0.41) POLBALDH1A1TSHRMAPTHPGD
SCHEMBL498353 0.78 LOXL2 (0.46) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL2892597 0.77 TSHR (0.53) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL28113312 0.76 TDP1 (0.44) RAB9AALDH1A1NPC1TSHRMAPT
SCHEMBL1787753 0.75 LOXL2 (0.51) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL1787501 0.74 ACHE (0.59) LOXL2CYP4F2CYP4A11RAB9APOLB
Butane SCHEMBL27366277 0.74 ALDH1A1 (0.62) LOXL2POLBALDH1A1HPGDMEN1
SCHEMBL28205756 0.73 KCNN4 (0.36) POLBALDH1A1MEN1KMT2ASMN1; SMN2

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 8 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
US-20010037025-A1 New compounds, their preparation and use MURRAY ANTHONY (DK) 2001-11-01 US disclosed
EP-1077919-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 EP disclosed
WO-1999058486-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 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 (2 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-20010037025-A1 New compounds, their preparation and use GPR119, SLC5A1, SLC5A2 LOXL2 4024/4885CYP4F2 849/4885CYP4A11 180/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 LOXL2 1476/4885CYP4F2 88/4885CYP4A11 38/4885

“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.