SCHEMBL87887

SCHEMBL87887

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.43
TTR P02766 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ERN1 O75460 1/20 0.41
MET P08581 2/20 0.39
GFER P55789 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1122760 1.00 HCAR2 (0.43) HCAR2TTRCYP3A4TSHRTDP1
SCHEMBL23040861 0.94 HCAR2 (0.52) HCAR2TTRCYP3A4TSHRTDP1
SCHEMBL9475517 0.94 HCAR2 (0.52) HCAR2TTRCYP3A4TSHRTDP1
SCHEMBL87888 0.94 HCAR2 (0.52) HCAR2TTRCYP3A4TSHRTDP1
SCHEMBL6053862 0.81 CYP3A4 (0.43) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL9319210 0.79 TTR (0.41) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL31668182 0.79 TTR (0.41) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL31668175 0.79 TTR (0.48) TTRCYP3A4TSHRTDP1MEN1
SCHEMBL9319479 0.79 TTR (0.41) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL7750809 0.78 TTR (0.39) TTRCYP3A4TSHRTDP1AKR1C4

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 178 patents — showing the first 20. 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 claimed
US-11857605-B2 Thiosuccinyl-crosslinked hemoglobin conjugates and methods of use and preparation thereof BILLION KING INTERNATIONAL LIMITED (CN) 2024-01-02 US claimed
US-20220280616-A1 Thiosuccinyl-crosslinked Hemoglobin Conjugates and Methods of Use and Preparation Thereof BILLION KING INTERNATIONAL LIMITED (HK) 2022-09-08 US claimed
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 claimed
EP-2968597-B1 POLYALKYLENE OXIDE VALERATE HEMOGLOBIN CONJUGATES SCHINDLER WILLIAM (US) 2021-08-18 EP claimed
CN-112852772-A Urate oxidase based on intramolecular cross-linking and polyethylene glycol modification and preparation method thereof 中国科学院过程工程研究所 2021-05-28 CN claimed
EP-2830638-B1 DIASPIRIN CROSSLINKED PEGYLATED HEMOGLOBIN SCHINDLER WILLIAM (US) 2021-05-05 EP claimed
US-20210061885-A1 Thiosuccinyl-crosslinked Hemoglobin Analogs and Methods of Use and Preparation Thereof BILLION KING INTERNATIONAL LIMITED (CN) 2021-03-04 US claimed
US-10821158-B2 Polyalkylene oxide valerate hemoglobin conjugates Schindler, William (US) 2020-11-03 US claimed
US-10029001-B2 Diaspirin crosslinked pegylated hemoglobin Schindler, William (US) 2018-07-24 US claimed
US-8106011-B1 Method for the preparation of a heat stable oxygen carrier-containing composition facilating beta-beta cross-linking BILLION KING INTERNATIONAL LIMITED (HK) 2012-01-31 US claimed
WO-2011162863-A1 A METHOD FOR THE PREPARATION OF A HEAT STABLE OXYGEN CARRIER-CONTAINING PHARMACEUTICAL COMPOSITION WONG BING LOU (US) 2011-12-29 WO claimed
US-20110319858-A1 METHOD FOR THE PREPARATION OF A HEAT STABLE OXYGEN CARRIER-CONTAINING PHARMACEUTICAL COMPOSITIONS AND THE USE THEREOF BILLION KING INTERNATIONAL LIMITED (HK) 2011-12-29 US claimed
EP-2399606-A1 A method for the preparation of a heat stable oxygen carrier-containing pharmaceutical composition Wong, Bing Lou (US) 2011-12-28 EP claimed
US-7932356-B1 Method for the preparation of a heat stable oxygen carrier-containing pharmaceutical composition BILLION KING INTERNATIONAL LIMITED (HK) 2011-04-26 US claimed
US-5128452-A Process for the production of crosslinked hemoglobin in the presence of sodium tripolyphosphate BAXTER INTERNATIONAL INC. (US) 1992-07-07 US claimed
US-5041615-A Preparation of bis(salicyl) diesters BAXTER INTERNATIONAL INC. (US) 1991-08-20 US claimed
EP-0195558-B1 COMPOSITION OF ALPHA-ALPHA- CROSS-LINKED HEMOGLOBINS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1990-05-23 EP claimed
EP-0195558-A2 Composition of alpha-alpha- cross-linked hemoglobins UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1986-09-24 EP claimed
US-4598064-A Alpha-alpha cross-linked hemoglobins UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1986-07-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10029001-B2 Diaspirin crosslinked pegylated hemoglobin HBG2, HBG1, HBB HCAR2 1401/4885TTR 162/4885CYP3A4 776/4885
US-20210061885-A1 Thiosuccinyl-crosslinked Hemoglobin Analogs and Methods of Use and Preparation Thereof HBG1, HBG2, HBB HCAR2 3037/4885TTR 7/4885CYP3A4 818/4885
US-10821158-B2 Polyalkylene oxide valerate hemoglobin conjugates HBZ, HBB, HBG1 HCAR2 1186/4885TTR 11/4885CYP3A4 339/4885
US-11857605-B2 Thiosuccinyl-crosslinked hemoglobin conjugates and methods of use and preparation thereof HBG1, HBG2, HBB HCAR2 3018/4885TTR 6/4885CYP3A4 1255/4885
US-20220280616-A1 Thiosuccinyl-crosslinked Hemoglobin Conjugates and Methods of Use and Preparation Thereof HBG1, HBG2, HBB HCAR2 3018/4885TTR 6/4885CYP3A4 1255/4885

“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.