SCHEMBL18664786

SCHEMBL18664786

CC(=O)c1cccc(NC(=O)C2CCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
KCNK3 O14649 1/20 0.70
KCNK9 Q9NPC2 1/20 0.70
NPSR1 Q6W5P4 1/20 0.68
PKM P14618 1/20 0.66
ALOX15 P16050 1/20 0.66
LMNA P02545 2/20 0.64
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.63
NPC1 O15118 2/20 0.63
GAA P10253 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
TP53 P04637 1/20 0.60
USP2 O75604 1/20 0.60

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
SCHEMBL9532585 0.95 ALDH1A1 (0.91) ALDH1A1KCNK3KCNK9NPSR1PKM
SCHEMBL5816312 0.92 ALDH1A1 (0.85) ALDH1A1KCNK3KCNK9NPSR1PKM
SCHEMBL23070448 0.88 ALDH1A1 (0.78) ALDH1A1KCNK3KCNK9NPSR1LMNA
SCHEMBL16670220 0.87 ALDH1A1 (0.77) ALDH1A1KCNK3KCNK9NPSR1LMNA
SCHEMBL13370008 0.85 ALDH1A1 (0.74) ALDH1A1KCNK3KCNK9NPSR1LMNA
SCHEMBL15576244 0.84 ALDH1A1 (0.71) ALDH1A1KCNK3KCNK9NPSR1LMNA
SCHEMBL259424 0.83 NPSR1 (0.97) ALDH1A1KCNK3KCNK9NPSR1LMNA
SCHEMBL13105757 0.83 ALDH1A1 (0.71) ALDH1A1KCNK3KCNK9NPSR1LMNA
SCHEMBL8352882 0.83 ALDH1A1 (0.71) ALDH1A1PKMALOX15NPC1GAA
SCHEMBL2892842 0.83 ALDH1A1 (0.71) ALDH1A1GAATP53USP2

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-10626081-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-04-21 US disclosed
US-10626081-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-04-21 US disclosed
US-20180244606-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2018-08-30 US disclosed
WO-2017049172-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-20180244606-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885KCNK3 4334/4885KCNK9 4608/4885
US-10626081-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885KCNK3 4334/4885KCNK9 4608/4885

“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.