SCHEMBL13946507

SCHEMBL13946507

O=Nc1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.50
▸ NOS1 P29475 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TSHR P16473 4/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39

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
SCHEMBL13100598 0.87 HDAC8 (0.46) NOS3NOS1ALDH1A1HSD17B10TSHR
SCHEMBL26801174 0.80 CA2 (0.52) NOS3NOS1ALDH1A1HSD17B10TSHR
SCHEMBL14690091 0.78 NOS3 (0.54) NOS3NOS1ALDH1A1TSHRCA12
SCHEMBL14690090 0.78 NOS3 (0.54) NOS3NOS1ALDH1A1TSHRCA12
SCHEMBL18533548 0.78 TSHR (0.54) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL41775 0.76 TSHR (0.67) NOS3NOS1TSHRCA12CA1
SCHEMBL234461 0.76 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL27473140 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL24587489 0.74 NOS3 (0.50) NOS3NOS1TSHRCA12CA1
SCHEMBL10035756 0.74 NOS3 (0.50) NOS3NOS1TSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161506-A Solid-phase probe for marking terminal alkyne compound and synthesis method and application thereof 中国科学院兰州化学物理研究所 2024-12-20 — — CN claimed
CN-109694472-B Functional polyether initiator, synthesis thereof and application thereof in polyether synthesis 万华化学集团股份有限公司 2021-06-29 — — CN claimed
CN-119161506-A Solid-phase probe for marking terminal alkyne compound and synthesis method and application thereof 中国科学院兰州化学物理研究所 2024-12-20 — — CN disclosed
CN-118255763-A Azo reductase/pH dual response fluorescent compound, and preparation method and application thereof 南通大学 2024-06-28 — — CN disclosed
CN-118005709-A CDDO-Me/Ozanimod co-prodrug based on azo reductase activation as well as preparation method and application thereof 南通大学 2024-05-10 — — CN disclosed
US-20230270874-A1 ANTIBODY DRUG CONJUGATE LOADED WITH BINARY TOXINS AND ITS APPLICATION MABPLEX INTERNATIONAL CO., LTD. (CN) 2023-08-31 — — US disclosed
EP-3950061-A1 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE Daiichi Sankyo Company, Limited (JP) 2022-02-09 — — EP disclosed
WO-2021183702-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-09-16 — — WO disclosed
CN-109694472-B Functional polyether initiator, synthesis thereof and application thereof in polyether synthesis 万华化学集团股份有限公司 2021-06-29 — — CN disclosed
CN-109694472-B Functional polyether initiator, synthesis thereof and application thereof in polyether synthesis 万华化学集团股份有限公司 2021-06-29 — — CN disclosed
EP-2946006-B1 ENGINEERED BIOCATALYSTS USEFUL FOR CARBAPENEM SYNTHESIS CODEXIS INC (US) 2019-04-10 — — EP disclosed
WO-2017097872-A1 HYBRID MOLECULE COMPRISING STRUCTURAL AND ACTIVE ELEMENTS OF RESVERATROL AND DIALLYL DISULFIDE ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2017-06-15 — — WO disclosed
EP-2592476-A1 Antireflective coating forming composition containing vinyl ether compound and polyimide Nissan Chemical Industries, Ltd. (JP) 2013-05-15 — — EP disclosed
US-7491732-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2009-02-17 — — US disclosed
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-12-11 — — US 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 (2 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-20230270874-A1 ANTIBODY DRUG CONJUGATE LOADED WITH BINARY TOXINS AND ITS APPLICATION MMAB, TNFSF10, CD47 NOS3 4703/4885NOS1 4653/4885ALDH1A1 3067/4885
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 NOS3 46/4885NOS1 480/4885ALDH1A1 1981/4885

“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.

Send feedback