SCHEMBL21819552

SCHEMBL21819552

CCC(C)(C)n1cc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F2 P00734 1/20 0.31
PLAU P00749 1/20 0.31
KLKB1 P03952 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL1582031 0.82 KIT (0.43) ALDH1A1TSHRMAPK1KMT2AHSD17B10
SCHEMBL24036416 0.79 KDM5B (0.39) ALDH1A1TSHRMAPK1KMT2AHSD17B10
SCHEMBL22061450 0.79 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1KMT2AHSD17B10
SCHEMBL9274705 0.79 KIT (0.33) ALDH1A1TSHRMAPK1KMT2AHSD17B10
SCHEMBL673370 0.79 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1KMT2AHSD17B10
SCHEMBL29640756 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27711325 0.75 ELANE (0.36) ALDH1A1F2PLAUKLKB1ELANE
SCHEMBL26627922 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL13061839 0.74 KCNH2 (0.30)
SCHEMBL9279870 0.74 GSK3A (0.36) ALDH1A1MAPK1KMT2AHSD17B10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289821-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2025-09-18 US disclosed
EP-3852748-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF LILLY CO ELI (US) 2025-09-03 EP disclosed
EP-4596543-A2 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Organovo, Inc. (US) 2025-08-06 EP disclosed
CN-113056271-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-10-29 CN disclosed
US-20230382913-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2023-11-30 US disclosed
US-11773094-B2 Farnesoid X receptor agonists and uses thereof ORGANOVO, INC. (US) 2023-10-03 US disclosed
US-20210395253-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2021-12-23 US disclosed
US-11084817-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2021-08-10 US disclosed
CN-113056271-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2021-06-29 CN disclosed
WO-2021021893-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-02-04 WO disclosed
US-20200102308-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2020-04-02 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 (6 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-11773094-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885TSHR 365/4885MAPK1 3269/4885
US-20210395253-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885TSHR 365/4885MAPK1 3269/4885
US-20200102308-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885TSHR 365/4885MAPK1 3269/4885
US-20250289821-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885TSHR 365/4885MAPK1 3269/4885
US-20230382913-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885TSHR 365/4885MAPK1 3269/4885
US-11084817-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885TSHR 365/4885MAPK1 3269/4885

“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.