SCHEMBL22018769

SCHEMBL22018769

CC(C)(C)[Si](C)(C)OOCc1ncccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ AGER Q15109 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NAPRT Q6XQN6 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MYC P01106 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
SCHEMBL22019206 0.87 KDM4E (0.45) KDM4ETDP1ALDH1A1L3MBTL1TSHR
SCHEMBL21957880 0.86 KDM4E (0.44) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL31245546 0.86 KDM4E (0.44) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL21957993 0.80 KDM4E (0.42) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL31245513 0.80 KDM4E (0.42) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL21958053 0.78 KDM4E (0.41) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL30638431 0.76 KDM4E (0.52) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL4608338 0.76 KDM4E (0.52) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL22018757 0.75 CHRM2 (0.41) KDM4ETDP1ALDH1A1L3MBTL1NPSR1
SCHEMBL3886138 0.74 KDM4E (0.49) KDM4ETDP1ALDH1A1L3MBTL1NPSR1

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-20200157085-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2020-05-21 — — 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-20200157085-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB KDM4E 1774/4885TDP1 3819/4885ALDH1A1 3168/4885

“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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