SCHEMBL18640280

SCHEMBL18640280

CCOC(=O)C1CCN(c2ccc(OC)c(C)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.63
MAPT P10636 2/20 0.58
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 2/20 0.55
HPGD P15428 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 1/20 0.54
PDK2 Q15119 1/20 0.53
TSHR P16473 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL18640051 0.88 MAPT (0.55) LGMNMAPTALDH1A1MEN1KMT2A
SCHEMBL21533588 0.87 LGMN (0.69) LGMNMAPTALDH1A1MEN1KMT2A
SCHEMBL13722551 0.85 LGMN (0.61) LGMNMAPTALDH1A1MEN1KMT2A
SCHEMBL3221137 0.85 LGMN (0.61) LGMNMAPTALDH1A1MEN1KMT2A
SCHEMBL30479029 0.85 LGMN (0.61) LGMNMAPTALDH1A1MEN1KMT2A
SCHEMBL25031058 0.85 LGMN (0.61) LGMNMAPTALDH1A1MEN1KMT2A
SCHEMBL21533589 0.82 LGMN (0.66) LGMNMAPTALDH1A1KDM4EMAPK1
SCHEMBL3139067 0.82 MAPT (0.67) LGMNMAPTALDH1A1MEN1KMT2A
SCHEMBL23086805 0.81 LGMN (0.62) LGMNMAPTALDH1A1MEN1KMT2A
SCHEMBL13896504 0.81 ALDH1A1 (0.69) LGMNMAPTALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377717-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2019-08-13 US disclosed
US-20180251429-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2018-09-06 US disclosed
EP-3350166-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2018-07-25 EP disclosed
WO-2017049177-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 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-20180251429-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 LGMN 3458/4885MAPT 4394/4885ALDH1A1 2205/4885
US-10377717-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 LGMN 3458/4885MAPT 4394/4885ALDH1A1 2205/4885

“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.