SCHEMBL24820904

SCHEMBL24820904

CC1(C)OB(c2ccc3c(c2)NCC3)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.40
LIPG Q9Y5X9 13/20 0.40
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 1/20 0.37
ROCK1 Q13464 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL595500 0.91 LPL (0.38) LPLLIPGGFERBACE1ROCK1
SCHEMBL31222957 0.91 LPL (0.38) LPLLIPGGFERBACE1ROCK1
SCHEMBL12470951 0.88 DRD2 (0.45) LPLLIPGBACE1ROCK1CA1
SCHEMBL20612387 0.80 BRD9 (0.39) LPLLIPGBACE1ROCK1CA1
SCHEMBL29676875 0.80 PARP10 (0.54) LPLLIPGBACE1
SCHEMBL2052209 0.80 PARP10 (0.54) LPLLIPGBACE1
SCHEMBL21382549 0.79 KDM4E (0.43) LPLLIPGROCK1CA1CA2
SCHEMBL17042127 0.79 CA9 (0.50) LPLLIPGSMN1; SMN2BACE1CA9
SCHEMBL31371681 0.77 ASIC3 (0.46) LPLLIPGDRD2
SCHEMBL17948747 0.77 ASIC3 (0.46) LPLLIPGDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240307415-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF JIANGSU SIMCERE PHARMACEUTICAL CO., LTD. (CN) 2024-09-19 US disclosed
EP-4365183-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Jiangsu Simcere Pharmaceutical Co., Ltd. (CN) 2024-05-08 EP disclosed
CN-117580849-A Steroid compound, pharmaceutical composition and application thereof 江苏先声药业有限公司 2024-02-20 CN disclosed
WO-2023186072-A1 LIGAND-DRUG CONJUGATE AND USE THEREOF 江苏先声药业有限公司 2023-10-05 WO disclosed
WO-2022268176-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 江苏先声药业有限公司 2022-12-29 WO disclosed
WO-2022268176-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 江苏先声药业有限公司 2022-12-29 WO 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-20240307415-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF NR5A1, HSD17B7, CYP17A1 LPL 1969/4885LIPG 2220/4885GFER 3068/4885

“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.