SCHEMBL23357451

SCHEMBL23357451

Nc1ccccc1C(=O)OC(=O)/C=C\C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.51
▸ HSD17B10 Q99714 10/20 0.51
▸ CFTR P13569 1/20 0.51
▸ TSHR P16473 3/20 0.47
▸ HPGD P15428 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 7/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45

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
SCHEMBL28259523 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL33469 0.88 HCAR2 (0.50) ALDH1A1HSD17B10TSHRHPGDSMN1; SMN2
SCHEMBL2849416 0.84 MAPT (0.64) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL2849418 0.84 MAPT (0.64) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL28839863 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL7299840 0.81 HPGD (0.51) ALDH1A1HSD17B10TSHRHPGDSMN1; SMN2
SCHEMBL2367627 0.80 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL21694738 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRTSHRHPGD
SCHEMBL240024 0.79 HSD17B10 (0.65) ALDH1A1HSD17B10TSHRHPGDSMN1; SMN2
SCHEMBL28056289 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRTSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050598-A1 PHARMACEUTICAL COMPOSITION COMPRISING TETROFOSMIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF JUBILANT DRAXIMAGE INC. (CA) 2024-02-15 — — US disclosed
US-20210145987-A1 PHARMACEUTICAL COMPOSITION COMPRISING TETROFOSMIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF Jubilant Generics Limited (IN) 2021-05-20 — — 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 (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-20210145987-A1 PHARMACEUTICAL COMPOSITION COMPRISING TETROFOSMIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TREH, TYMP, PRCP ALDH1A1 4783/4885HSD17B10 4728/4885CFTR 138/4885

“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.

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