SCHEMBL29670772

SCHEMBL29670772

COC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.72
PTGS2 P35354 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
TSHR P16473 1/20 0.72
CAPN1 P07384 1/20 0.45
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
PSEN1 P49768 6/20 0.45
TTPA P49638 3/20 0.44
NR1I2 O75469 1/20 0.44
ALOX5 P09917 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
SCHEMBL633931 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2140309 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL6362676 1.00 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL22899966 0.90 PTGS1 (0.70) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15851247 0.90 PTGS1 (0.56) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL31326006 0.87 PTGS1 (0.65) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL30951067 0.86 PTGS1 (0.68) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2393197 0.86 PTGS1 (0.68) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL21344343 0.86 PTGS1 (0.52) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL7895023 0.86 PTGS1 (0.91) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126011-A Method for chiral resolution of Trolox and Trolox ester compound enantiomer 辽宁大学 2024-06-04 CN disclosed
US-20230330060-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SULFATEQ B.V. (NL) 2023-10-19 US disclosed
US-20230202997-A1 CHROMANOL, QUINONE OR HYDROQUINONE COMPOUNDS FOR TREATMENT OF SEPSIS SULFATEQ B.V. (NL) 2023-06-29 US disclosed
US-20230052152-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE SULFATEQ B.V. (NL) 2023-02-16 US disclosed
CN-114746430-A Quinone-, hydroquinone-and naphthoquinone-analogues of vattinoquinone for the treatment of mitochondrial disorders 康德生物医疗有限公司 2022-07-12 CN 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 (3 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-20230202997-A1 CHROMANOL, QUINONE OR HYDROQUINONE COMPOUNDS FOR TREATMENT OF SEPSIS SQOR, SQLE, CYP11B2 PTGS1 288/4885PTGS2 276/4885CYP1A2 43/4885
US-20230330060-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SQOR, SDHA, NDUFV2 PTGS1 550/4885PTGS2 454/4885CYP1A2 226/4885
US-20230052152-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PSEN2, APP, SNCA PTGS1 1348/4885PTGS2 878/4885CYP1A2 349/4885

“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.