SCHEMBL21275707

SCHEMBL21275707

CCCCOOC(=O)c1ccccc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ CYP3A4 P08684 4/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALDH1A1 P00352 7/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ PTPRF P10586 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NR1I2 O75469 1/20 0.40

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
SCHEMBL5072717 0.89 TSHR (0.68) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL11418643 0.84 TSHR (0.77) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5072718 0.83 TSHR (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5353532 0.83 TSHR (0.56) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL15264948 0.83 TSHR (0.81) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL15264951 0.83 TSHR (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5575276 0.82 ALDH1A1 (0.70) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28048856 0.81 TSHR (0.68) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5076639 0.80 TSHR (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29287656 0.80 TSHR (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1

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-10385010-B1 Expedient synthesis of oseltamivir and related compounds via direct olefin diazidation-diamidation reaction GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2019-08-20 — — 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-10385010-B1 Expedient synthesis of oseltamivir and related compounds via direct olefin diazidation-diamidation reaction TALDO1, DDO, DAO TSHR 2270/4885TDP1 2167/4885L3MBTL1 3248/4885

“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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