SCHEMBL19138208

SCHEMBL19138208

CCCCCCC(C)OC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CA2 P00918 1/20 0.37
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL30906191 0.96 L3MBTL1 (0.61) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL6388281 0.90 L3MBTL1 (0.61) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL13301486 0.85 SMN1; SMN2 (0.69) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL12387048 0.85 SMN1; SMN2 (0.69) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL269491 0.83 L3MBTL1 (0.63) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL29375099 0.83 L3MBTL1 (0.63) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL29365981 0.83 L3MBTL1 (0.63) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL14582494 0.82 L3MBTL1 (0.65) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL30646241 0.81 L3MBTL1 (0.66) ALDH1A1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL6748976 0.80 ALDH1A1 (0.65) ALDH1A1KMT2AL3MBTL1MEN1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10835572-B2 Composition for external application ROHTO PHARMACEUTICAL CO., LTD. (JP) 2020-11-17 — — US disclosed
EP-3210613-A1 COMPOSITION FOR EXTERNAL APPLICATION Rohto Pharmaceutical Co., Ltd. (JP) 2017-08-30 — — EP disclosed
US-20170209522-A1 Composition for External Application ROHTO PHARMACEUTICAL CO., LTD. (JP) 2017-07-27 — — US 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-10835572-B2 Composition for external application COL1A1, COL14A1, COL2A1 ALDH1A1 3193/4885KMT2A 3685/4885L3MBTL1 3372/4885
US-20170209522-A1 Composition for External Application COL1A1, COL14A1, COL2A1 ALDH1A1 3193/4885KMT2A 3685/4885L3MBTL1 3372/4885

“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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