SCHEMBL30450770

SCHEMBL30450770

O=c1ccc2c(ccc3ccccc32)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.61
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA9 Q16790 2/20 0.61
MCL1 Q07820 2/20 0.61
CA2 P00918 1/20 0.61
LMNA P02545 1/20 0.61
CA3 P07451 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
SOST Q9BQB4 1/20 0.61
CA14 Q9ULX7 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
NCOA1 Q15788 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
KDM4E B2RXH2 4/20 0.50

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
SCHEMBL30588914 1.00 TDP1 (0.61) TDP1CA12CA1CA9MCL1
SCHEMBL3362663 1.00 TDP1 (0.61) TDP1CA12CA1CA9MCL1
SCHEMBL31035850 0.98 TDP1 (0.59) TDP1CA12CA1CA9MCL1
SCHEMBL5672210 0.98 TDP1 (0.59) TDP1CA12CA1CA9MCL1
SCHEMBL5672676 0.87 TDP1 (0.62) TDP1CA12CA1CA9MCL1
Coumarin SCHEMBL28593553 0.79 CA12 (0.95) TDP1CA12CA1CA9MCL1
SCHEMBL5189602 0.78 HPRT1 (0.54) TDP1CA12CA1CA9MCL1
Xanthone SCHEMBL28056746 0.77 TDP1 (0.74) TDP1CA12CA1CA9MCL1
SCHEMBL7755371 0.77 TDP1 (0.56) TDP1CA12CA1CA9MCL1
Coumarin SCHEMBL28199186 0.77 CA12 (0.67) TDP1CA12CA1CA9MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852089-A Acylhydrazone derivative-based Cu continuous specificity detection method2+Fluorescent chemical sensor for glyphosate 安徽工程大学 2024-10-29 CN claimed
CN-118324738-A Cu for specifically detecting glyphosate2+Preparation and application of coordination fluorescent compound 安徽工程大学 2024-07-12 CN claimed
CN-116135848-A Coumarin compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2023-05-19 CN claimed
US-20250090479-A1 COMPOSITIONS FOR TREATING ACNE AND DERMATOLOGICAL CONDITIONS IIera Derm LLC 2025-03-20 US disclosed
CN-118852089-A Acylhydrazone derivative-based Cu continuous specificity detection method2+Fluorescent chemical sensor for glyphosate 安徽工程大学 2024-10-29 CN disclosed
CN-118324738-A Cu for specifically detecting glyphosate2+Preparation and application of coordination fluorescent compound 安徽工程大学 2024-07-12 CN disclosed
CN-116135848-B Coumarin compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-03-12 CN disclosed
CN-116135848-A Coumarin compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2023-05-19 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 (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-20250090479-A1 COMPOSITIONS FOR TREATING ACNE AND DERMATOLOGICAL CONDITIONS COQ8A, ATP5ME, AGK TDP1 1945/4885CA12 4347/4885CA1 4837/4885

“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.