SCHEMBL24205103

SCHEMBL24205103

C=C(C)C(=O)OCCCCCC(=O)n1ccc(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NAAA Q02083 1/20 0.40
▸ SQOR Q9Y6N5 1/20 0.38
▸ EP300 Q09472 2/20 0.37
▸ DUT P33316 5/20 0.36
▸ MMP1 P03956 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ THRB P10828 1/20 0.33

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
SCHEMBL26034517 1.00 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26034520 0.89 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26034522 0.88 POLB (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26034516 0.82 CRBN (0.37) TSHRDUT
SCHEMBL24205049 0.81 DUT (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24205058 0.81 DUT (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24205059 0.81 DUT (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24205328 0.81 DUT (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26035091 0.81 DUT (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24205191 0.81 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230273455-A1 OPTICALLY ACTIVE DEVICES JOHNSON & JOHNSON SURGICAL VISION INC (US) 2023-08-31 — — US disclosed
US-20230273455-A1 OPTICALLY ACTIVE DEVICES JOHNSON & JOHNSON SURGICAL VISION INC (US) 2023-08-31 — — US disclosed
WO-2022012798-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2022-01-20 — — 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 (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-20230273455-A1 OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D TSHR 4592/4885POLB 1376/4885APEX1 133/4885

“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.

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