SCHEMBL21955548

SCHEMBL21955548

CC(C)C(C)/C=C/C(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.54
▸ LMNA P02545 4/20 0.54
▸ HSD17B10 Q99714 3/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ SHBG P04278 1/20 0.44
▸ SERPINA6 P08185 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ VDR P11473 2/20 0.44
▸ CASP7 P55210 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HSPD1 P10809 1/20 0.44

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
SCHEMBL30786280 1.00 GPBAR1 (0.54) GPBAR1LMNAHSD17B10CYP2C9CYP3A4
SCHEMBL27241191 1.00 GPBAR1 (0.54) GPBAR1LMNAHSD17B10CYP2C9CYP3A4
SCHEMBL22018106 1.00 GPBAR1 (0.54) GPBAR1LMNAHSD17B10CYP2C9CYP3A4
SCHEMBL27241193 1.00 GPBAR1 (0.54) GPBAR1LMNAHSD17B10CYP2C9CYP3A4
SCHEMBL21955546 1.00 GPBAR1 (0.54) GPBAR1LMNAHSD17B10CYP2C9CYP3A4
SCHEMBL21955547 1.00 GPBAR1 (0.54) GPBAR1LMNAHSD17B10CYP2C9CYP3A4
SCHEMBL3192871 0.87 GPBAR1 (0.72) GPBAR1LMNAHSD17B10CYP2C9CYP3A4
SCHEMBL13324310 0.87 GPBAR1 (0.72) GPBAR1LMNAHSD17B10CYP2C9CYP3A4
SCHEMBL3192865 0.87 GPBAR1 (0.72) GPBAR1LMNAHSD17B10CYP2C9CYP3A4
SCHEMBL29618946 0.87 GPBAR1 (0.72) GPBAR1LMNAHSD17B10CYP2C9CYP3A4

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
EP-3658566-B1 SIDE-CHAIN MODIFIED ERGOSTEROL AND STIGMASTEROL DERIVATIVES AS LIVER X RECEPTOR MODULATORS OSPEDALE SAN RAFFAELE SRL (IT) 2023-07-19 — — EP disclosed
US-20200157135-A1 SIDE-CHAIN MODIFIED ERGOSTEROL AND STIGMASTEROL DERIVATIVES AS LIVER X RECEPTOR MODULATORS OSPEDALE SAN RAFFAELE SRL (IT) 2020-05-21 — — 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 (1 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-20200157135-A1 SIDE-CHAIN MODIFIED ERGOSTEROL AND STIGMASTEROL DERIVATIVES AS LIVER X RECEPTOR MODULATORS NR1H3, NR1H2, CYP27A1 GPBAR1 47/4885LMNA 3124/4885HSD17B10 98/4885

“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.

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