SCHEMBL1999533

SCHEMBL1999533

COC(=O)c1cc(O)cc(C(=O)OC)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 2/20 0.47
ACHE P22303 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
LCK P06239 1/20 0.45
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
LMNA P02545 1/20 0.43

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
Hydrochloric Acid SCHEMBL3530288 0.98 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL26162772 0.92 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1999536 0.92 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL17344113 0.88 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9034755 0.84 MAPK1 (0.48) MAPK1CYP3A4NPSR1KDM4EALDH1A1
SCHEMBL10479256 0.82 MAPK1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL14653302 0.82 SMN1; SMN2 (0.49) MAPK1CYP3A4NPSR1KDM4EALDH1A1
SCHEMBL13936781 0.82 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL21044559 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL21200395 0.80 POLB (0.42) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339570-A1 RADIOIMMUNOCONJUGATES AND THERAPEUTIC USES THEREOF UNIV CALIFORNIA (US) 2025-11-06 US disclosed
US-20250214985-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2025-07-03 US disclosed
US-20250163040-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2025-05-22 US disclosed
EP-4525939-A2 RADIOIMMUNOCONJUGATES AND THERAPEUTIC USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-03-26 EP disclosed
US-12258339-B2 Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer CORNELL UNIVERSITY (US) 2025-03-25 US disclosed
WO-2025031383-A1 BIFUNCTIONAL LINKER COMPOUND, ANTIBODY DRUG CONJUGATE, PREPARATION METHOD FOR ANTIBODY DRUG CONJUGATE, AND USE OF ANTIBODY DRUG CONJUGATE 杭州爱科瑞思生物医药有限公司 2025-02-13 WO disclosed
US-12103922-B2 Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer CORNELL UNIVERSITY (US) 2024-10-01 US disclosed
US-20240254085-A1 CHELATORS FOR RADIOMETALS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-08-01 US disclosed
EP-4334290-A1 CHELATORS FOR RADIOMETALS AND METHODS OF MAKING AND USING SAME The University of British Columbia (CA) 2024-03-13 EP disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20100134052-A1 Light Emitting Polymer Devices Using Self-Assembled Monolayer Structures HCF PARTNERS, L.P. (US) 2010-06-03 US disclosed
US-20100134052-A1 Light Emitting Polymer Devices Using Self-Assembled Monolayer Structures HCF PARTNERS, L.P. (US) 2010-06-03 US disclosed
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2009-06-11 US disclosed
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2009-06-11 US disclosed
US-7491720-B2 Aminopyridine derivatives having Aurora A selective inhibitory action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-7491720-B2 Aminopyridine derivatives having Aurora A selective inhibitory action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
WO-2008034911-A1 NEW BIO-COMPATIBLE POLYMER MATERIALS, METHOD FOR PRODUCING THE SAME AND USES THEREOF, PARTICULARLY IN MEDICAL MAGNETIC-RESONANCE IMAGING BIOSPHERE MEDICAL (FR) 2008-03-27 WO disclosed
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action OHKUBO MITSURU 2008-01-31 US disclosed
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action OHKUBO MITSURU 2008-01-31 US disclosed
WO-2006116584-A2 LIGHT EMITTING POLYMER DEVICES USING SELF-ASSEMBLED MONOLAYER STRUCTURES DYNAMIC ORGANIC LIGHT, INC. (US) 2006-11-02 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 (10 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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 CA12 2960/4885CA1 2436/4885CA2 1316/4885
US-20250339570-A1 RADIOIMMUNOCONJUGATES AND THERAPEUTIC USES THEREOF ITGA6, CD4, ITGB6 CA12 68/4885CA1 173/4885CA2 1280/4885
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action AURKA, AURKC, AURKB CA12 2178/4885CA1 536/4885CA2 190/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB CA12 2178/4885CA1 536/4885CA2 190/4885
US-20250163040-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CA12 22/4885CA1 50/4885CA2 420/4885
US-20100134052-A1 Light Emitting Polymer Devices Using Self-Assembled Monolayer Structures CLTB, CYBA, CLTA CA12 2379/4885CA1 3166/4885CA2 4510/4885
US-12258339-B2 Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer PSMA1, FOLH1, KLK3 CA12 22/4885CA1 50/4885CA2 420/4885
US-12103922-B2 Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer PSMA1, KLK3, FOLH1 CA12 24/4885CA1 59/4885CA2 308/4885
US-20250214985-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CA12 22/4885CA1 50/4885CA2 420/4885
US-20240254085-A1 CHELATORS FOR RADIOMETALS AND METHODS OF MAKING AND USING SAME RXFP3, SLC39A3, NR4A3 CA12 618/4885CA1 439/4885CA2 2392/4885

“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.