SCHEMBL18573588

SCHEMBL18573588

CC(C)CNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.58
▸ RAB9A P51151 9/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ HDAC1 Q13547 1/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ LMNA P02545 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALPL P05186 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CLK1 P49759 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41

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
SCHEMBL18573590 0.93 NPC1 (0.62) HDAC6RAB9ANPC1HDAC1SMN1; SMN2
SCHEMBL18573575 0.84 HDAC6 (0.62) HDAC6RAB9ANPC1HDAC1SMN1; SMN2
SCHEMBL18573589 0.81 RAB9A (0.53) HDAC6RAB9ANPC1HDAC1SMN1; SMN2
SCHEMBL20310142 0.77 RAB9A (0.43) HDAC6RAB9ANPC1HDAC1SMN1; SMN2
SCHEMBL18573453 0.77 RAB9A (0.60) HDAC6RAB9ANPC1HDAC1SMN1; SMN2
SCHEMBL18573523 0.77 HPGD (0.54) HDAC6RAB9ANPC1HDAC1SMN1; SMN2
SCHEMBL6246675 0.77 HDAC6 (0.72) HDAC6RAB9ANPC1HDAC1SMN1; SMN2
SCHEMBL18573579 0.76 KMT2A (0.48) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL18573537 0.76 NPC1 (0.63) HDAC6RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18573580 0.74 HSD17B1 (0.55) HDAC6RAB9ANPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339299-B1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2021-03-03 — — EP claimed
US-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE Autophagysciences Inc. (KR) 2020-08-13 — — US claimed
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Autophagysciences Inc. (KR) 2018-08-30 — — US claimed
EP-3339299-A2 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2018-06-27 — — EP claimed
EP-3339299-B1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2021-03-03 — — EP disclosed
EP-3339299-B1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2021-03-03 — — EP disclosed
CN-107922374-B Novel catechol derivatives and pharmaceutical compositions containing the same 自体吞噬科学有限公司 2020-11-06 — — CN disclosed
US-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE Autophagysciences Inc. (KR) 2020-08-13 — — US disclosed
US-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE Autophagysciences Inc. (KR) 2020-08-13 — — US disclosed
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same Autophagysciences Inc. (KR) 2020-05-26 — — US disclosed
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same Autophagysciences Inc. (KR) 2020-05-26 — — US disclosed
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Autophagysciences Inc. (KR) 2018-08-30 — — US disclosed
EP-3339299-A2 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2018-06-27 — — EP disclosed
WO-2017034242-A2 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 유영제약 2017-03-02 — — 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 (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-20200255397-A1 METHOD FOR TREATING LIVER DISEASE BY ADMINISTERING PHARMACEUTICAL COMPOSITION COMPRISING CATECHOL DERIVATIVE ATG7, BECN1, SLC10A1 HDAC6 233/4885RAB9A 167/4885NPC1 27/4885
US-10662169-B2 Catechol derivative and pharmaceutical composition comprising the same BECN1, ATG7, SQSTM1 HDAC6 213/4885RAB9A 197/4885NPC1 45/4885
US-20180244644-A1 NOVEL CATECHOL DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BECN1, ATG7, TFEB HDAC6 136/4885RAB9A 122/4885NPC1 40/4885

“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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