SCHEMBL20659945

SCHEMBL20659945

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
TSHR P16473 3/20 0.36
HIF1A Q16665 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.35
FFAR4 Q5NUL3 3/20 0.35
F13A1 P00488 3/20 0.35
GFER P55789 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL27515109 0.99 TTR (0.40) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9319479 0.94 TTR (0.41) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6248837 0.93 TTR (0.40) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29586703 0.91 TTR (0.43) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31668182 0.91 TTR (0.41) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9319210 0.91 TTR (0.41) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6053862 0.88 CYP3A4 (0.43) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL87887 0.74 HCAR2 (0.43) TTRAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8314107 0.74 HSP90AA1 (0.39) TDP1FFAR4MAPTALDH1A1
SCHEMBL1122760 0.74 HCAR2 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230090172-A1 BLOOD SUBSTITUTES COMPRISING HEMOGLOBIN AND METHOGS OF MAKING VirTech Bio, Inc. 2023-03-23 US disclosed
US-20200222510-A1 BLOOD SUBSTITUTES COMPRISING HEMOGLOBIN AND METHODS OF MAKING VirTech Bio, Inc. 2020-07-16 US disclosed
EP-3655019-A1 BLOOD SUBSTITUTES COMPRISING HEMOGLOBIN AND METHODS OF MAKING Virtech Bio, Inc. (US) 2020-05-27 EP disclosed
WO-2019018403-A1 BLOOD SUBSTITUTES COMPRISING HEMOGLOBIN AND METHODS OF MAKING VIRTECH BIO, LLC (US) 2019-01-24 WO 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-20200222510-A1 BLOOD SUBSTITUTES COMPRISING HEMOGLOBIN AND METHODS OF MAKING HBG1, HBG2, HBB TTR 18/4885AKR1C4 3207/4885AKR1C3 3048/4885
US-20230090172-A1 BLOOD SUBSTITUTES COMPRISING HEMOGLOBIN AND METHOGS OF MAKING HBG1, HBG2, HBB TTR 16/4885AKR1C4 3946/4885AKR1C3 3795/4885

“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.