SCHEMBL9007352

SCHEMBL9007352

CCOP(=O)(OC)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
PPARD Q03181 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL11122982 0.89 TSHR (0.57) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL1237286 0.89 TSHR (0.57) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL28101148 0.86 TSHR (0.55) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL28669926 0.84 TSHR (0.52) TSHRALDH1A1LMNATDP1TP53
SCHEMBL1630328 0.81 ALDH1A1 (0.42) TSHRALDH1A1LMNACYP3A4ALOX15
SCHEMBL28822581 0.81 TSHR (0.48) TSHRALDH1A1TDP1TP53PPARD
Trimethylammonium SCHEMBL28541031 0.81 TSHR (0.48) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL29250785 0.80 TSHR (0.43) TSHRALDH1A1TDP1TP53PPARD
SCHEMBL28743332 0.79 TSHR (0.46) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL388425 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8239365-A None JP disclosed
CN-119613643-A Functionalized covalent organic framework material and preparation method and application thereof 广东工业大学 2025-03-14 CN disclosed
CN-118867200-A Nickel-rich ternary positive electrode material with double modified structures, and preparation method and application thereof 广东工业大学 2024-10-29 CN disclosed
CN-118867199-A Nickel-rich ternary positive electrode material with coating modified structure, and preparation method and application thereof 广东工业大学 2024-10-29 CN disclosed
CN-117871630-A In-situ X-ray diffraction electrolytic cell and detection process thereof 闽南师范大学 2024-04-12 CN disclosed
EP-3321261-B1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2020-06-17 EP disclosed
EP-3321261-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES Curis, Inc. (US) 2018-05-16 EP disclosed
EP-2661425-B1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2018-02-28 EP disclosed
US-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2017-12-07 US disclosed
EP-2661425-A2 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES Curis, Inc. (US) 2013-11-13 EP disclosed
WO-2012094328-A2 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS, INC. (US) 2012-07-12 WO disclosed
JP-H08239365-A 3-PHENYLISOQUINOL-1(2H)-ONE DERIVATIVE AND ITS PRODUCTION AND ITS THERAPEUTIC APPLICATION SYNTHELABO SA 1996-09-17 JP 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-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 TSHR 1760/4885ALDH1A1 1006/4885LMNA 4754/4885

“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.