SCHEMBL22831741

SCHEMBL22831741

C=C(C)C(=O)OCCCn1c2ccccc2c(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.47
HRH1 P35367 1/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 1/20 0.45
FABP4 P15090 2/20 0.44
FABP5 Q01469 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL29561864 1.00 PTGS2 (0.51) PTGS2SLC6A4SLC6A2HRH1TP53
SCHEMBL27151560 0.93 FABP4 (0.51) PTGS2FABP4FABP5HDAC1HDAC6
SCHEMBL118053 0.92 PTGS2 (0.59) PTGS2SLC6A4SLC6A2HRH1TP53
SCHEMBL9484194 0.88 FABP4 (0.51) FABP4FABP5HDAC1HDAC6FNTA
SCHEMBL29657620 0.85 PTGS2 (0.50) PTGS2ALDH1A1FABP4FABP5HDAC1
SCHEMBL957686 0.85 PTGS2 (0.50) PTGS2ALDH1A1FABP4FABP5HDAC1
SCHEMBL13223756 0.82 PTGS2 (0.57) PTGS2SLC6A4SLC6A2HRH1TP53
SCHEMBL24427159 0.81 HRH3 (0.40) ALDH1A1FABP4FABP5SYKPOLB
SCHEMBL10039836 0.78 ALDH1A1 (0.41) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL30887180 0.78 ALDH1A1 (0.41) ALDH1A1POLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509428-B2 Polymerizable fused tricyclic compounds as absorbers of UV and visible light JOHNSON & JOHNSON VISION CARE, INC. (US) 2025-12-30 US disclosed
US-20230117655-A1 POLYMERIZABLE FUSED TRICYCLIC COMPOUNDS AS ABSORBERS OF UV AND VISIBLE LIGHT JOHNSON & JOHNSON VISION CARE, INC. 2023-04-20 US disclosed
US-20230117655-A1 POLYMERIZABLE FUSED TRICYCLIC COMPOUNDS AS ABSORBERS OF UV AND VISIBLE LIGHT JOHNSON & JOHNSON VISION CARE, INC. 2023-04-20 US disclosed
EP-3990431-A1 POLYMERIZABLE FUSED TRICYCLIC COMPOUNDS AS ABSORBERS OF UV AND VISIBLE LIGHT Johnson & Johnson Vision Care, Inc. (US) 2022-05-04 EP disclosed
US-20200407324-A1 POLYMERIZABLE FUSED TRICYCLIC COMPOUNDS AS ABSORBERS OF UV AND VISIBLE LIGHT JOHNSON & JOHNSON VISION CARE, INC. 2020-12-31 US disclosed
US-20200407324-A1 POLYMERIZABLE FUSED TRICYCLIC COMPOUNDS AS ABSORBERS OF UV AND VISIBLE LIGHT JOHNSON & JOHNSON VISION CARE, INC. 2020-12-31 US disclosed
WO-2020261021-A1 POLYMERIZABLE FUSED TRICYCLIC COMPOUNDS AS ABSORBERS OF UV AND VISIBLE LIGHT JOHNSON & JOHNSON VISION CARE, INC. (US) 2020-12-30 WO disclosed
WO-2020261021-A1 POLYMERIZABLE FUSED TRICYCLIC COMPOUNDS AS ABSORBERS OF UV AND VISIBLE LIGHT JOHNSON & JOHNSON VISION CARE, INC. (US) 2020-12-30 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 (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-20200407324-A1 POLYMERIZABLE FUSED TRICYCLIC COMPOUNDS AS ABSORBERS OF UV AND VISIBLE LIGHT ERCC4, ERCC1, F12 PTGS2 1209/4885SLC6A4 2966/4885SLC6A2 3711/4885
US-12509428-B2 Polymerizable fused tricyclic compounds as absorbers of UV and visible light ERCC1, OGG1, ERCC4 PTGS2 241/4885SLC6A4 566/4885SLC6A2 1480/4885

“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.