SCHEMBL25950573

SCHEMBL25950573

COc1ccc(OCc2ccccc2C(=O)OI)c(F)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HTT P42858 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MRGPRX4 Q96LA9 4/20 0.39
LMNA P02545 2/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PARP10 Q53GL7 2/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL24677759 0.91 MRGPRX4 (0.47) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL24677801 0.87 HTT (0.50) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL30558899 0.87 HTT (0.50) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL24677760 0.81 MRGPRX4 (0.46) ALDH1A1HTTMAPTSMN1; SMN2MRGPRX4
SCHEMBL30447357 0.81 MRGPRX4 (0.46) ALDH1A1HTTMAPTSMN1; SMN2MRGPRX4
SCHEMBL24677758 0.81 MRGPRX4 (0.46) ALDH1A1HTTMAPTSMN1; SMN2PLA2G1B
SCHEMBL29831705 0.75 MRGPRX4 (0.51) ALDH1A1HTTMRGPRX4TP53
SCHEMBL24677896 0.75 MRGPRX4 (0.51) ALDH1A1HTTMRGPRX4TP53
SCHEMBL31456044 0.75 ERN1 (0.54) ALDH1A1HTTNPC1RAB9AMAPT
SCHEMBL26507030 0.73 LMNA (0.39) ALDH1A1HTTNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227493-A1 CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS ELI LILLY AND COMPANY 2023-07-20 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-20230227493-A1 CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, MC2R, NR3C2 ALDH1A1 2971/4885HTT 4334/4885NPC1 1921/4885

“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.