SCHEMBL21710942

SCHEMBL21710942

C[C@H](CCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CCCCC1C[C@@H]3OS(=O)(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.72
▸ NR1H4 Q96RI1 5/20 0.72
▸ VDR P11473 2/20 0.67
▸ ABCC4 O15439 1/20 0.67
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ AKR1B10 O60218 1/20 0.64
▸ AKR1B1 P15121 1/20 0.64
▸ EFNA1 P20827 1/20 0.64
▸ EPHA2 P29317 1/20 0.64
▸ PSEN1 P49768 1/20 0.64
▸ PSEN2 P49810 1/20 0.64
▸ APH1B Q8WW43 1/20 0.64
▸ NCSTN Q92542 1/20 0.64
▸ APH1A Q96BI3 1/20 0.64
▸ PSENEN Q9NZ42 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ ABCB11 O95342 2/20 0.57

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
SCHEMBL22717115 0.90 GPBAR1 (0.79) GPBAR1NR1H4VDRABCC4MEN1
Ursulcholic Acid SCHEMBL2919469 0.90 ABCC4 (0.77) GPBAR1NR1H4VDRABCC4MEN1
Ursulcholic Acid SCHEMBL27095060 0.90 ABCC4 (0.77) GPBAR1NR1H4VDRABCC4MEN1
SCHEMBL4622117 0.90 GPBAR1 (0.79) GPBAR1NR1H4VDRABCC4MEN1
SCHEMBL5084428 0.90 GPBAR1 (0.79) GPBAR1NR1H4VDRABCC4MEN1
SCHEMBL1656467 0.90 GPBAR1 (0.79) GPBAR1NR1H4VDRABCC4MEN1
Ursulcholic Acid SCHEMBL6269998 0.90 ABCC4 (0.77) GPBAR1NR1H4VDRABCC4MEN1
SCHEMBL19858468 0.88 GPBAR1 (0.80) GPBAR1NR1H4MEN1KMT2ALMNA
SCHEMBL19858469 0.88 GPBAR1 (0.80) GPBAR1NR1H4MEN1KMT2ALMNA
Ursulcholic Acid SCHEMBL2916948 0.87 ABCC4 (0.73) GPBAR1NR1H4VDRABCC4MEN1

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-10881636-B2 Dihydroartemisinin-steroid conjugate and preparation method and application thereof Yunbaiyao Zhengwu Science and Technology (Shanghai) Co., Ltd. (CN) 2021-01-05 — — US disclosed
US-20200046679-A1 DIHYDROARTEMISININ-STEROID CONJUGATE AND PREPARATION METHOD AND APPLICATION THEREOF YUNBAIYAO ZHENGWU SCIENCE AND TECH SHANGHAI CO LTD (CN) 2020-02-13 — — 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-20200046679-A1 DIHYDROARTEMISININ-STEROID CONJUGATE AND PREPARATION METHOD AND APPLICATION THEREOF CYP17A1, HSD17B7, DHCR7 GPBAR1 1362/4885NR1H4 96/4885VDR 1438/4885
US-10881636-B2 Dihydroartemisinin-steroid conjugate and preparation method and application thereof CYP17A1, HSD17B7, DHCR7 GPBAR1 1362/4885NR1H4 96/4885VDR 1438/4885

“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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