SCHEMBL23040861

SCHEMBL23040861

O=C(O)/C=C\C(=O)OCc1cc(Br)cc(Br)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.52
TTR P02766 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
ERN1 O75460 1/20 0.37
LMNA P02545 1/20 0.36
MET P08581 1/20 0.36
GFER P55789 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9475517 1.00 HCAR2 (0.52) HCAR2TTRKDM4EGAAAKR1C4
SCHEMBL87888 1.00 HCAR2 (0.52) HCAR2TTRKDM4EGAAAKR1C4
SCHEMBL1122760 0.94 HCAR2 (0.43) HCAR2TTRAKR1C4AKR1C3AKR1C2
SCHEMBL87887 0.94 HCAR2 (0.43) HCAR2TTRAKR1C4AKR1C3AKR1C2
SCHEMBL6053862 0.76 CYP3A4 (0.43) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29586703 0.75 TTR (0.43) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31668182 0.74 TTR (0.41) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9319210 0.74 TTR (0.41) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31668175 0.74 TTR (0.48) TTRKDM4ECYP3A4TSHRTDP1
SCHEMBL9319479 0.74 TTR (0.41) TTRAKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341174-B Succinyl cross-linked hemoglobin analogues and methods of use and preparation thereof 亿京国际有限公司 2024-05-17 CN disclosed
US-11692022-B2 Thiosuccinyl-crosslinked hemoglobin analogs and methods of use and preparation thereof BILLION KING INTERNATIONAL LIMITED (CN) 2023-07-04 US disclosed
US-20230111100-A1 Thiosuccinyl-crosslinked Hemoglobin Analogs and Methods of Use and Preparation Thereof BILLION KING INTERNATIONAL LIMITED (HK) 2023-04-13 US disclosed
CN-114341174-A Thiosuccinyl cross-linked hemoglobin analogs and methods of use and preparation thereof 亿京国际有限公司 2022-04-12 CN disclosed
US-20210061885-A1 Thiosuccinyl-crosslinked Hemoglobin Analogs and Methods of Use and Preparation Thereof BILLION KING INTERNATIONAL LIMITED (CN) 2021-03-04 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 (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-20210061885-A1 Thiosuccinyl-crosslinked Hemoglobin Analogs and Methods of Use and Preparation Thereof HBG1, HBG2, HBB HCAR2 3037/4885TTR 7/4885KDM4E 1612/4885
US-11692022-B2 Thiosuccinyl-crosslinked hemoglobin analogs and methods of use and preparation thereof HBG1, HBG2, HBB HCAR2 3037/4885TTR 7/4885KDM4E 1612/4885
US-20230111100-A1 Thiosuccinyl-crosslinked Hemoglobin Analogs and Methods of Use and Preparation Thereof HBG1, HBG2, HBB HCAR2 3037/4885TTR 7/4885KDM4E 1612/4885

“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.