SCHEMBL22554416

SCHEMBL22554416

C=CC(=O)OCCCCCCCCCCCCCCOC(=O)C(=C)C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.70
ALDH1A1 P00352 6/20 0.70
CYP3A4 P08684 2/20 0.70
HPGD P15428 1/20 0.58
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 3/20 0.47
HCAR2 Q8TDS4 2/20 0.40
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22554408 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL22554419 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL22554417 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL22554412 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL22554415 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL22554409 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL22554403 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL22554418 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL22554411 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDPOLB
SCHEMBL22554410 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111712523-B Ophthalmic product composition 爱尔兰眼力健公司 2023-01-03 CN claimed
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP claimed
US-11359031-B2 Composition for ophthalmological products Johnson & Johnson Surgical Vision, Inc. (US) 2022-06-14 US claimed
EP-3728339-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2020-10-28 EP claimed
US-20200332041-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS MERCK PATENT GMBH (DE) 2020-10-22 US claimed
CN-111712523-A Ophthalmic product composition 默克专利股份有限公司 2020-09-25 CN claimed
EP-4182737-B1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2024-07-03 EP disclosed
US-20240142665-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2024-05-02 US disclosed
US-20240117092-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2024-04-11 US disclosed
EP-4284787-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-12-06 EP disclosed
EP-4263513-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-10-25 EP disclosed
US-20230273455-A1 OPTICALLY ACTIVE DEVICES JOHNSON & JOHNSON SURGICAL VISION INC (US) 2023-08-31 US disclosed
US-20230273456-A1 OPTICALLY ACTIVE DEVICES JOHNSON & JOHNSON SURGICAL VISION INC (US) 2023-08-31 US disclosed
EP-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 EP disclosed
US-11359031-B2 Composition for ophthalmological products Johnson & Johnson Surgical Vision, Inc. (US) 2022-06-14 US disclosed
WO-2022012798-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2022-01-20 WO disclosed
WO-2022012799-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2022-01-20 WO disclosed
EP-3728339-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2020-10-28 EP disclosed
US-20200332041-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS MERCK PATENT GMBH (DE) 2020-10-22 US disclosed
CN-111712523-A Ophthalmic product composition 默克专利股份有限公司 2020-09-25 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 (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-20230273456-A1 OPTICALLY ACTIVE DEVICES PDE6C, PDE6D, PDE6A TSHR 4585/4885ALDH1A1 277/4885CYP3A4 2508/4885
US-20230273455-A1 OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D TSHR 4592/4885ALDH1A1 311/4885CYP3A4 2513/4885
US-20240117092-A1 OPTICALLY ACTIVE DEVICES PDE6C, UACA, PDE6A TSHR 4604/4885ALDH1A1 538/4885CYP3A4 3029/4885

“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.