SCHEMBL21705756

SCHEMBL21705756

O=C(OC1CCCC(C(=O)OCCN2CCOCC2)C1)c1cc(I)cc(I)c1I

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL21705220 0.89 ALDH1A1 (0.40) ATMALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL19756182 0.80 SERPINE1 (0.32) —
SCHEMBL21705199 0.80 ATM (0.52) ATMALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL19678493 0.76 SERPINE1 (0.39) SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL21705252 0.74 ALDH1A1 (0.46) ATMALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL21705249 0.74 ALDH1A1 (0.46) ATMALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL21705899 0.74 GAA (0.54) ATMALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL26807914 0.74 — —
SCHEMBL21705214 0.73 KDM4E (0.50) ATMALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL21705226 0.72 ALDH1A1 (0.46) ATMALDH1A1SMN1; SMN2L3MBTL1KMT2A

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-20200050105-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-13 — — 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-20200050105-A1 RESIST COMPOSITION AND PATTERNING PROCESS HNRNPU, HNRNPR, ZFR ATM 3719/4885ALDH1A1 4859/4885SMN1; SMN2 1618/4885

“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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