SCHEMBL989416

SCHEMBL989416

CC(O)C(=O)OC(=O)/C=C/C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.54
TSHR P16473 3/20 0.39
TP53 P04637 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37

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
SCHEMBL11859589 1.00 HCAR2 (0.54) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL2079639 1.00 HCAR2 (0.54) HCAR2TSHRTP53EGLN1EGLN3
Acrylic Acid SCHEMBL28914099 0.92 HCAR2 (0.47) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9384923 0.91 HCAR2 (0.39) HCAR2TSHRTP53ALDH1A1KEAP1
SCHEMBL746755 0.91 HCAR2 (0.39) HCAR2TSHRTP53ALDH1A1KEAP1
Methacrylic Acid SCHEMBL28568084 0.89 HCAR2 (0.44) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL8460434 0.89 HCAR2 (0.38) HCAR2TSHRTP53ALDH1A1KEAP1
SCHEMBL16681177 0.89 HCAR2 (0.38) HCAR2TSHRTP53ALDH1A1KEAP1
SCHEMBL14157639 0.89 HCAR2 (0.38) HCAR2TSHRTP53ALDH1A1KEAP1
Acrylic Acid Methyl Ester SCHEMBL28567664 0.86 HCAR2 (0.50) HCAR2TSHRALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3851108-B1 BORATE-BASED DRUG AND USE THEREOF CHENGDU ORIGIN BIOTECHNOLOGY LTD COMPANY (CN) 2023-08-09 EP disclosed
US-20210332069-A1 Borate-Based Drug And Use Thereof CHENGDU ORIGIN BIOTECHNOLOGY LIMITED COMPANY (CN) 2021-10-28 US disclosed
EP-3851108-A1 BORATE-BASED DRUG AND USE THEREOF Chengdu Origin Biotechnology Limited Company (CN) 2021-07-21 EP disclosed
EP-2271656-A1 2'-O,3'-N-BRIDGED MACROLIDES GLAXO GROUP LIMITED (GB) 2011-01-12 EP disclosed
WO-2009130189-A1 2'-O,3'-N-BRIDGED MACROLIDES GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-10-29 WO disclosed
CN-101448505-A PI3 kinase antagonists UNIV CALIFORNIA (US) 2009-06-03 CN disclosed
CN-1082040-A Indoles PFIZER RES & DEV (IE) 1994-02-16 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 (1 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-20210332069-A1 Borate-Based Drug And Use Thereof PSMB11, PSMB1, PSMB3 HCAR2 2514/4885TSHR 967/4885TP53 1800/4885

“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.