SCHEMBL20473155

SCHEMBL20473155

C=CC/C=C/CCCOc1ccc2cc(-c3ccccc3)n(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ PTGDR Q13258 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ APP P05067 3/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ GRIK1 P39086 1/20 0.34
▸ GRIK2 Q13002 1/20 0.34
▸ MCL1 Q07820 2/20 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
SCHEMBL22245789 0.88 KMT2A (0.48) KMT2ACYP19A1ALDH1A1KDM4EHPGD
SCHEMBL20473148 0.88 KMT2A (0.45) KMT2APTGDRCYP19A1MTNR1AMTNR1B
SCHEMBL22245786 0.86 THRB (0.44) KMT2APTGDRMTNR1AMTNR1BALDH1A1
SCHEMBL23355162 0.84 PTGDR (0.41) KMT2APTGDRMTNR1AMTNR1BALDH1A1
SCHEMBL20473383 0.78 KMT2A (0.49) KMT2AMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL30568049 0.78 KMT2A (0.49) KMT2AMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL30568044 0.78 KMT2A (0.49) KMT2AMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL23395595 0.78 THRB (0.46) KMT2AMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL22245883 0.77 KMT2A (0.40) KMT2ACYP19A1MTNR1AMTNR1BALDH1A1
SCHEMBL22245988 0.75 NR1H2 (0.50) KMT2AALDH1A1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014900-B2 Hydrophilic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 — — US disclosed
US-11014900-B2 Hydrophilic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 — — US disclosed
EP-3583098-B9 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-12 — — EP disclosed
EP-3583098-B9 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-12 — — EP disclosed
EP-3583098-B1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-28 — — EP disclosed
EP-3583098-B1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-28 — — EP disclosed
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-07-23 — — US disclosed
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-07-23 — — US disclosed
EP-3363791-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2018-08-22 — — EP 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-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 KMT2A 4122/4885PTGDR 278/4885CYP19A1 2733/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 KMT2A 4122/4885PTGDR 278/4885CYP19A1 2733/4885

“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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