SCHEMBL5158696

SCHEMBL5158696

O=C(O)CC(O)(CC(=O)OC(=O)CCCCC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ACLY P53396 3/20 0.37
SLC13A5 Q86YT5 3/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
PAM P19021 2/20 0.32

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
SCHEMBL16241770 0.96 ALDH1A1 (0.54) ALDH1A1ACLYSLC13A5LMNAKDM4E
SCHEMBL2761470 0.96 ALDH1A1 (0.58) ALDH1A1ACLYSLC13A5LMNAKDM4E
SCHEMBL28538390 0.95 ALDH1A1 (0.52) ALDH1A1ACLYLMNAMEN1KMT2A
SCHEMBL11061145 0.95 ALDH1A1 (0.52) ALDH1A1ACLYLMNAMEN1KMT2A
SCHEMBL10388862 0.93 ALDH1A1 (0.54) ALDH1A1ACLYSLC13A5LMNAKDM4E
SCHEMBL119742 0.92 ALDH1A1 (0.62) ALDH1A1ACLYSLC13A5LMNAKDM4E
SCHEMBL11115362 0.92 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATSHRALOX15
SCHEMBL27911416 0.90 ALDH1A1 (0.60) ALDH1A1ACLYSLC13A5LMNAKDM4E
SCHEMBL8514388 0.90 PAM (0.47) ALDH1A1MEN1KMT2ATSHRALOX15
SCHEMBL7091543 0.90 PAM (0.47) ALDH1A1MEN1KMT2ATSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190864-A1 Bruton's Tyrosine Kinase (BTK) INHIBITOR AND APPLICATION THEREOF YA THERAPEUTICS INC (CN) 2024-06-13 US disclosed
US-20240109896-A1 FGFR KINASE INHIBITOR AND USE THEREOF YA THERAPEUTICS INC (CN) 2024-04-04 US disclosed
EP-3510199-A1 METHOD FOR MANUFACTURE OF PAPER, BOARD OR THE LIKE AND USE OF THE COMPOSITION Kemira Oyj (FI) 2019-07-17 EP disclosed
WO-2018046794-A1 METHOD FOR MANUFACTURE OF PAPER, BOARD OR THE LIKE AND USE OF THE COMPOSITION KEMIRA OYJ (FI) 2018-03-15 WO disclosed
JP-2007068525-A COMPOSITION FOR SUPPRESSING REACTION INHIBITION OF PQQGDH TOYOBO CO LTD 2007-03-22 JP disclosed
US-20070037238-A1 Composition for suppressing PQQGDH reaction inhibition TOYO BOSEKI KABUSHIKI KAISHA (JP) 2007-02-15 US disclosed
EP-1752530-A1 Composition for suppression PQQGDH reaction inhibition Toyo Boseki Kabushiki Kaisha (JP) 2007-02-14 EP disclosed
CN-1912134-A Method and composition for suppressing PQQGDH reaction inhibition TOYO BOSEKI (JP) 2007-02-14 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-20240109896-A1 FGFR KINASE INHIBITOR AND USE THEREOF FGFR1, FGFR2, FGFR3 ALDH1A1 1185/4885ACLY 1829/4885SLC13A5 1582/4885
US-20240190864-A1 Bruton's Tyrosine Kinase (BTK) INHIBITOR AND APPLICATION THEREOF BTK, SYK, LYN ALDH1A1 4339/4885ACLY 4124/4885SLC13A5 2628/4885

“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.