SCHEMBL21876169

SCHEMBL21876169

COc1ccc([C@H]2CC[C@H](C=O)CC2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CHRM4 P08173 2/20 0.32
▸ MAPT P10636 5/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ ADRA1A P35348 2/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ ADORA2A P29274 1/20 0.30

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
SCHEMBL21876170 1.00 KDM4E (0.40) KDM4EL3MBTL1JAK2JAK1TYK2
SCHEMBL21834207 0.84 PDE4A (0.35) KDM4EL3MBTL1JAK2JAK1TYK2
SCHEMBL21834208 0.84 PDE4A (0.35) KDM4EL3MBTL1JAK2JAK1TYK2
SCHEMBL29372186 0.82 HPGD (0.39) KDM4ENR1H4ALDH1A1TSHRHPGD
SCHEMBL21876180 0.82 HPGD (0.39) KDM4ENR1H4ALDH1A1TSHRHPGD
SCHEMBL21876181 0.82 HPGD (0.39) KDM4ENR1H4ALDH1A1TSHRHPGD
SCHEMBL25980305 0.82 HPGD (0.39) KDM4ENR1H4ALDH1A1TSHRHPGD
SCHEMBL22405862 0.80 ALDH1A1 (0.43) KDM4EL3MBTL1ALDH1A1TSHRHPGD
SCHEMBL27316765 0.77 CACNA1B (0.39) KDM4EL3MBTL1MAPT
SCHEMBL21876206 0.72 NR1H4 (0.36) KDM4EJAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609888-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF LILLY CO ELI (US) 2025-08-27 — — EP disclosed
EP-4596041-A2 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Organovo, Inc. (US) 2025-08-06 — — EP disclosed
EP-3596053-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-08-16 — — EP disclosed
EP-3596053-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-08-16 — — EP disclosed
US-20220089575-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2022-03-24 — — US disclosed
US-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 — — US disclosed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 — — US disclosed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 — — US disclosed
US-20210300875-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2021-09-30 — — US disclosed
US-20210300875-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2021-09-30 — — US disclosed
US-10961198-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2021-03-30 — — US disclosed
US-10961198-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2021-03-30 — — US disclosed
US-10927082-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2021-02-23 — — US disclosed
US-20200290973-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2020-09-17 — — US disclosed
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 — — US disclosed
US-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 — — US disclosed
US-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 — — US disclosed
US-20200131134-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2020-04-30 — — US disclosed
US-20200131134-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2020-04-30 — — US disclosed
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 — — 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 (10 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-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885JAK2 2538/4885
US-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885JAK2 2538/4885
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885JAK2 2538/4885
US-20210300875-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885JAK2 2538/4885
US-20220089575-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885JAK2 2538/4885
US-20200131134-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885JAK2 2538/4885
US-11236071-B1 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885JAK2 2538/4885
US-20200290973-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885JAK2 2538/4885
US-10961198-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885JAK2 2538/4885
US-10927082-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885JAK2 2538/4885

“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.

Send feedback