SCHEMBL21804589

SCHEMBL21804589

CC1(C)OC(=O)C(CCCOCc2ccccc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
IDO1 P14902 1/20 0.38
EPHX2 P34913 1/20 0.38
KCNA3 P22001 2/20 0.36
KCNA5 P22460 2/20 0.36
SOAT1 P35610 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
SCHEMBL10296117 0.81 PLA2G6 (0.44) GLANPSR1L3MBTL1
SCHEMBL22481259 0.79 ALDH1A1 (0.43) ALDH1A1GLANPSR1MEN1MAPT
SCHEMBL29033172 0.75 NAAA (0.44) NAAAALDH1A1MEN1MAPTKMT2A
SCHEMBL7417047 0.74 GLA (0.66) GLANPSR1TSHR
SCHEMBL23219625 0.72 LMNA (0.44) NAAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11319730 0.71 TMEM97 (0.45) NAAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11319725 0.71 TMEM97 (0.45) NAAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL29033174 0.71 NAAA (0.43) NAAAALDH1A1MEN1MAPTKMT2A
SCHEMBL3103917 0.71 GLA (0.66) GLANPSR1MEN1KMT2ALMNA
SCHEMBL8876347 0.70 TDP1 (0.43) NAAAALDH1A1MEN1MAPTKMT2A

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
CN-113166087-B Screening agent and use thereof 恩多塞特公司 2024-05-10 CN disclosed
US-20210323985-A1 SHIELDING AGENTS AND THEIR USE ENDOCYTE INC (US) 2021-10-21 US disclosed
US-20210323985-A1 SHIELDING AGENTS AND THEIR USE ENDOCYTE INC (US) 2021-10-21 US disclosed
EP-3853213-A1 SHIELDING AGENTS AND THEIR USE Endocyte, Inc. (US) 2021-07-28 EP disclosed
CN-113166087-A Shielding agent and application thereof 恩多塞特公司 2021-07-23 CN disclosed
WO-2020061293-A1 SHIELDING AGENTS AND THEIR USE ENDOCYTE, INC. (US) 2020-03-26 WO disclosed
WO-2020061293-A1 SHIELDING AGENTS AND THEIR USE ENDOCYTE, INC. (US) 2020-03-26 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 (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-20210323985-A1 SHIELDING AGENTS AND THEIR USE PSMA6, PSMA2, PSMA1 NAAA 2166/4885ALDH1A1 2836/4885GLA 482/4885

“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.