SCHEMBL19744461

SCHEMBL19744461

COC(=O)c1ccc2cc(OC3COC3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.47
HGFAC Q04756 1/20 0.46
HRH3 Q9Y5N1 4/20 0.45
LCK P06239 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
KDM4E B2RXH2 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PLAU P00749 2/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL29751003 1.00 PTPN11 (0.47) PTPN11HGFACHRH3LCKCA1
SCHEMBL28935302 0.84 EPHX2 (0.51) MEN1KMT2A
SCHEMBL15550938 0.82 HRH3 (0.53) PTPN11HGFACHRH3LCKCA1
SCHEMBL16910064 0.82 PTPN11 (0.46) PTPN11HGFACHRH3LCKCA1
SCHEMBL15550939 0.82 HRH3 (0.53) PTPN11HGFACHRH3LCKCA1
SCHEMBL16910065 0.82 PTPN11 (0.46) PTPN11HGFACHRH3LCKCA1
SCHEMBL15583516 0.82 PTPN11 (0.46) PTPN11HGFACHRH3LCKCA1
Lithium Ion SCHEMBL19744427 0.81 HRH3 (0.43) HRH3CA1CA2KDM4EKDM2B
Lithium Ion SCHEMBL29751018 0.81 HRH3 (0.43) HRH3CA1CA2KDM4EKDM2B
SCHEMBL1161522 0.79 HPGDS (0.48) PTPN11HGFACHRH3LCKKDM4E

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
EP-4257191-A2 HETEROCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2023-10-11 EP disclosed
EP-4257191-A2 HETEROCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2023-10-11 EP disclosed
EP-3472149-B1 HETEROCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2023-08-30 EP disclosed
US-20220267306-A1 HETEROCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2022-08-25 US disclosed
US-11377439-B2 Heterocyclic prolinamide derivatives Orion Ophthalmology LLC (US) 2022-07-05 US disclosed
US-11377439-B2 Heterocyclic prolinamide derivatives Orion Ophthalmology LLC (US) 2022-07-05 US disclosed
CN-114685453-A Heterocyclic prolinamide derivatives 奥瑞恩眼科有限责任公司 2022-07-01 CN disclosed
CN-109476637-B Heterocyclic prolinamide derivatives 奥瑞恩眼科有限责任公司 2022-02-01 CN disclosed
US-20190322645-A1 HETEROCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2019-10-24 US disclosed
US-20190322645-A1 HETEROCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2019-10-24 US disclosed
EP-3472149-A1 HETEROCYCLIC PROLINAMIDE DERIVATIVES ORION OPTHALMOLOGY LLC (US) 2019-04-24 EP disclosed
WO-2017222915-A1 HETEROCYCLIC PROLINAMIDE DERIVATIVES INCEPTION 4, INC. (US) 2017-12-28 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 (3 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-20190322645-A1 HETEROCYCLIC PROLINAMIDE DERIVATIVES HTRA1, ALDH1A2, HTRA2 PTPN11 2494/4885HGFAC 593/4885HRH3 451/4885
US-20220267306-A1 HETEROCYCLIC PROLINAMIDE DERIVATIVES HTRA1, ALDH1A2, HTRA2 PTPN11 2369/4885HGFAC 540/4885HRH3 498/4885
US-11377439-B2 Heterocyclic prolinamide derivatives HTRA1, ALDH1A2, HTRA2 PTPN11 2494/4885HGFAC 593/4885HRH3 451/4885

“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.