SCHEMBL498188

SCHEMBL498188

COC(=O)c1cccc(CN(C)c2ccc(O)cc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR3C1 P04150 1/20 0.47
CSF1R P07333 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
SLC7A5 Q01650 1/20 0.45
CD74 P04233 1/20 0.45
MIF P14174 1/20 0.45
EGFR P00533 1/20 0.44
HIF1A Q16665 1/20 0.44
MEP1B Q16820 1/20 0.44
SENP1 Q9P0U3 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 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
SCHEMBL498871 0.86 ALDH1A1 (0.51) LOXL2CYP4A11MAPTKDM4EALDH1A1
SCHEMBL498276 0.81 CA1 (0.47) MAPTKDM4EALDH1A1SMN1; SMN2EGFR
SCHEMBL4490305 0.79 LOXL2 (0.52) LOXL2CYP4F2CYP4A11MAPTKDM4E
SCHEMBL165622 0.78 LOXL2 (0.66) LOXL2CYP4F2CYP4A11MAPTKDM4E
SCHEMBL22887358 0.77 MRGPRX4 (0.61) LOXL2CYP4F2CYP4A11MAPTRAB9A
SCHEMBL27985817 0.76 NR1H4 (0.45) LOXL2CYP4F2CYP4A11MAPTKDM4E
Hydroquinone SCHEMBL28832812 0.75 LOXL2 (0.66) LOXL2CYP4F2CYP4A11MAPTKDM4E
SCHEMBL4835879 0.74 LOXL2 (0.60) LOXL2CYP4F2CYP4A11MAPTKDM4E
SCHEMBL10106423 0.74 LOXL2 (0.64) LOXL2CYP4F2CYP4A11MAPTKDM4E
SCHEMBL498879 0.74 CA12 (0.39) MAPTKDM4EALDH1A1RAB9ASMN1; 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 6 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
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
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 LOXL2 2085/4885CYP4F2 89/4885CYP4A11 47/4885
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.