SCHEMBL1636307

SCHEMBL1636307

COC(=O)c1c(O)cc(C)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.62
ACHE P22303 2/20 0.62
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA7 P43166 3/20 0.61
CA9 Q16790 3/20 0.61
CA14 Q9ULX7 3/20 0.61
GLO1 Q04760 1/20 0.58
HPGD P15428 1/20 0.58
POLB P06746 4/20 0.57
GAA P10253 3/20 0.57
RECQL P46063 2/20 0.54
APP P05067 1/20 0.52
CNR2 P34972 2/20 0.52
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
KDM4E B2RXH2 2/20 0.48
XDH P47989 2/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL3469596 0.90 CYP3A4 (0.72) CYP3A4ACHECA12CA1CA2
SCHEMBL8329910 0.86 POLB (0.63) CYP3A4ACHECA12CA1CA2
SCHEMBL725269 0.84 CYP3A4 (0.77) CYP3A4ACHECA12CA1CA2
SCHEMBL26604873 0.80 CYP3A4 (0.47) CYP3A4ACHECA12CA1CA2
SCHEMBL26605028 0.80 GLO1 (0.54) CYP3A4ACHECA12CA1CA2
SCHEMBL26604790 0.80 GLO1 (0.54) CYP3A4ACHECA12CA1CA2
SCHEMBL6493747 0.80 CYP3A4 (0.79) CYP3A4ACHECA12CA1CA2
SCHEMBL6492470 0.80 CA12 (0.59) CYP3A4ACHECA12CA1CA2
SCHEMBL26604928 0.79 CYP3A4 (0.46) CYP3A4ACHECA12CA1CA2
SCHEMBL1036031 0.79 CYP3A4 (0.59) CYP3A4ACHECA12CA1CA2

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915832-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX INC (US) 2002-10-02 EP claimed
US-6306203-B1 FOR USE IN INK JET PRINTING, INCLUDING PIEZOELECTRIC INK JET PRINTING AND ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-10-23 US claimed
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 EP claimed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO claimed
CN-116332729-B Preparation method of 3, 5-dihydroxytoluene 厦门沃克沃德医药科技有限公司 2023-12-22 CN disclosed
US-11708480-B2 Rubber composition, tire, additive and hydrazide compound OTSUKA CHEMICAL CO., LTD. (JP) 2023-07-25 US disclosed
CN-116332729-A Preparation method of 3, 5-dihydroxytoluene 厦门沃克沃德医药科技有限公司 2023-06-27 CN disclosed
CN-105586326-B Esterase and application thereof 江南大学 2022-05-24 CN disclosed
CN-109563316-B Rubber composition, tire, additive and hydrazide compound 株式会社普利司通 2021-08-17 CN disclosed
EP-3495415-B1 RUBBER COMPOSITION, TIRE, ADDITIVE, AND HYDRAZIDE COMPOUND BRIDGESTONE CORP (JP) 2021-01-20 EP disclosed
CN-105543253-B Esterase and application thereof 江南大学 2020-05-08 CN disclosed
CN-105695431-B Esterase and application thereof 江南大学 2020-05-08 CN disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO disclosed
US-6156884-A Bifunctional boronic compound complexing reagents and complexes PROLINX, INC. (US) 2000-12-05 US disclosed
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 EP disclosed
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 US disclosed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 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-11708480-B2 Rubber composition, tire, additive and hydrazide compound HRH2, HRH1, HEATR1 CYP3A4 1198/4885ACHE 1716/4885CA12 4590/4885

“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.