SCHEMBL463315

SCHEMBL463315

COc1ccccc1CC(O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL16815732 1.00 KMT2A (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL8953561 1.00 KMT2A (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL7516087 1.00 KMT2A (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL10830353 0.85 HTT (0.48) KMT2AMEN1ALDH1A1GAACRHBP
SCHEMBL28019826 0.85 HPGD (0.50) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL7385695 0.84 CYP1A2 (0.59) KMT2AMEN1ALDH1A1GAACRHBP
SCHEMBL8953568 0.84 CYP1A2 (0.45) KMT2AMEN1ALDH1A1GAACRHBP
SCHEMBL1419560 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1GAACRHBP
SCHEMBL16815475 0.82 MEN1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL18342037 0.82 CYP1A2 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230116602-A1 MCL1 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-13 — — US disclosed
CN-114746428-A MCL1 inhibitor and application thereof 加利福尼亚技术学院 2022-07-12 — — CN disclosed
WO-2021067827-A1 MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-04-08 — — WO disclosed
WO-2015097123-A1 NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-07-02 — — WO disclosed
US-20120021061-A1 MEDICAL AND NUTRITIONAL FORMULATIONS COMVITA NEW ZEALAND LIMITED (NZ) 2012-01-26 — — US disclosed
EP-2367444-A1 MEDICAL AND NUTRITIONAL FORMULATIONS Comvita New Zealand Limited (NZ) 2011-09-28 — — EP disclosed
WO-2010082846-A1 MEDICAL AND NUTRITIONAL FORMULATIONS COMVITA NEW ZEALAND LIMITED (NZ) 2010-07-22 — — WO disclosed
EP-0634408-B1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 — — EP disclosed
CN-1039331-C Depsispeptide derivative, preparation and application of same FUJISAMA PHARMACEUTICAL CO LTD (JP) 1998-07-29 — — CN disclosed
US-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 — — US disclosed
EP-0634408-A1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-18 — — EP disclosed
CN-1080932-A Depsipeptide derivative and manufacture method thereof and purposes FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-19 — — CN 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-20120021061-A1 MEDICAL AND NUTRITIONAL FORMULATIONS FABP6, NNT, IAPP KMT2A 3315/4885MEN1 276/4885ALDH1A1 2943/4885
US-20230116602-A1 MCL1 INHIBITORS AND USES THEREOF MCL1, BCL2L1, BCL2L11 KMT2A 2368/4885MEN1 399/4885ALDH1A1 1901/4885

“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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