SCHEMBL2890843

SCHEMBL2890843

CC(C)(C)OC(=O)C(O[C]=O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.36
ABCB1 P08183 1/20 0.35
IDO1 P14902 1/20 0.33
CYP2C19 P33261 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
PTPRC P08575 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL9439596 0.95 CYP1A2 (0.36) CYP1A2TSHRPOLBABCB1IDO1
SCHEMBL10435405 0.84 POLB (0.39) CYP1A2TSHRPOLBCYP2C19ALDH1A1
SCHEMBL9709460 0.82 CYP1A2 (0.43) CYP1A2TSHRPOLBIDO1CYP2C19
SCHEMBL28152768 0.80 KMT2A (0.39) KMT2AMDM4TP53
SCHEMBL653721 0.80 POLB (0.38) CYP1A2TSHRPOLBCYP2C19KMT2A
SCHEMBL15972146 0.80 POLB (0.38) CYP1A2TSHRPOLBABCB1CYP2C19
SCHEMBL755810 0.78 KMT2A (0.45) CYP1A2TSHRKMT2AMDM4TP53
SCHEMBL9015851 0.77 TSHR (0.42) CYP1A2TSHRCYP2C19CYP3A4CYP2D6
SCHEMBL15463430 0.77 CYP1A2 (0.38) CYP1A2TSHRPOLBCYP2C19CYP3A4
SCHEMBL4906912 0.77 CYP1A2 (0.41) CYP1A2TSHRPOLBIDO1CYP2C19

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690856-B1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT UNIV NEW YORK STATE RES FOUND (US) 2002-12-04 EP claimed
EP-0643056-B1 Process for the stereospecific preparation of 1,3-dioxan-4,6-dion derivatives, precursors of chiral tetramic acids derivatives ISOCHEM SA (FR) 2000-02-16 EP claimed
US-5599820-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-02-04 US claimed
EP-0690856-A4 UNIV NEW YORK (US) 1996-02-07 EP claimed
EP-0690856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-01-10 EP claimed
WO-1994022856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1994-10-13 WO claimed
US-20230293643-A1 BRK PEPTIDES AND METHODS OF USE CONCARLO THERAPEUTICS, INC. 2023-09-21 US disclosed
EP-4175659-A2 BRK PEPTIDES AND METHODS OF USE Concarlo Holdings, LLC (US) 2023-05-10 EP disclosed
EP-4118094-A1 EFFICIENT PREPARATION OF DOLASTATIN AND AURISTATIN ANALOGS THROUGH A COMMON INTERMEDIATE Sigma-Aldrich Co. LLC (US) 2023-01-18 EP disclosed
US-11247974-B2 Small molecules that enable cartilage rejuvenation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-15 US disclosed
WO-2022010914-A2 BRK PEPTIDES AND METHODS OF USE CONCARLO HOLDINGS, LLC (US) 2022-01-13 WO disclosed
EP-3503871-B1 HAIR FOLLICLE STEM CELL ACTIVATION AND HAIR GROWTH UNIV CALIFORNIA (US) 2021-11-17 EP disclosed
WO-2021183542-A1 EFFICIENT PREPARATION OF DOLASTATIN AND AURISTATIN ANALOGS THROUGH A COMMON INTERMEDIATE SIGMA-ALDRICH CO., LLC (US) 2021-09-16 WO disclosed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 US disclosed
WO-2005123672-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-12-29 WO disclosed
WO-2005105788-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-11-10 WO disclosed
WO-2005061519-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-07 WO disclosed
US-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 US disclosed
US-5532359-A FUNGICIDES GENENTECH, INC. (US) 1996-07-02 US disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 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-20060041137-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K1 CYP1A2 3175/4885TSHR 1322/4885POLB 943/4885
US-11247974-B2 Small molecules that enable cartilage rejuvenation COL2A1, MKI67, RARB CYP1A2 4774/4885TSHR 3792/4885POLB 324/4885

“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.