SCHEMBL29372143

SCHEMBL29372143

O=C(NCCCO)OC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.61
GAA P10253 1/20 0.44
NAAA Q02083 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TPSAB1 Q15661 3/20 0.38
TPSD1 Q9BZJ3 3/20 0.38
TPSG1 Q9NRR2 3/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL11751691 0.89 EPHX1 (0.65) EPHX1GAANAAASMN1; SMN2HDAC1
SCHEMBL10879403 0.89 EPHX1 (0.65) EPHX1GAANAAATPSAB1TPSD1
SCHEMBL10817282 0.87 EPHX1 (0.71) EPHX1GAANAAASMN1; SMN2HDAC4
SCHEMBL24091968 0.85 EPHX1 (0.45) EPHX1GAATDP1TPSAB1TPSD1
SCHEMBL8429028 0.84 EPHX1 (0.59) EPHX1GAANAAASMN1; SMN2TPSAB1
SCHEMBL22136179 0.84 EPHX1 (0.69) EPHX1GAANAAA
SCHEMBL22224323 0.84 EPHX1 (0.59) EPHX1GAANAAASMN1; SMN2TPSAB1
SCHEMBL2801495 0.84 EPHX1 (0.69) EPHX1GAANAAA
SCHEMBL24507877 0.83 EPHX1 (0.56) EPHX1GAASMN1; SMN2TPSAB1TPSD1
SCHEMBL12991745 0.83 EPHX1 (0.67) EPHX1GAANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089575-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2022-03-24 US disclosed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 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-20220089575-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 EPHX1 369/4885GAA 782/4885NAAA 2999/4885
US-11236071-B1 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 EPHX1 369/4885GAA 782/4885NAAA 2999/4885

“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.