SCHEMBL12844635

SCHEMBL12844635

CC(C)CCOC(=O)CCN1CCN(CCC(=O)OCCC(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ HRH2 P25021 3/20 0.36
▸ HRH1 P35367 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ PIK3CD O00329 1/20 0.34

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
SCHEMBL12863838 0.95 TP53 (0.47) CYP19A1TP53ALDH1A1TSHRSMN1; SMN2
SCHEMBL12863834 0.92 ALDH1A1 (0.46) TP53ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL10074652 0.89 CYP19A1 (0.35) CYP19A1TP53ALDH1A1TSHRSMN1; SMN2
SCHEMBL12863854 0.85 PAOX (0.45) CYP19A1TP53ALDH1A1TSHRSMN1; SMN2
SCHEMBL673537 0.82 ALDH1A1 (0.44) TP53ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL12863835 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1HRH2HRH1
SCHEMBL12650302 0.81 ALDH1A1 (0.32) CYP19A1ALDH1A1L3MBTL1
SCHEMBL333015 0.80 ADRA2A (0.50) CYP19A1ALDH1A1CA12CA1CA2
SCHEMBL419258 0.79 ALDH1A1 (0.46) TP53ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL674334 0.79 ALDH1A1 (0.46) TP53ALDH1A1TSHRSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557231-B2 Biodegradable poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-15 — — US disclosed
US-20110059172-A1 THERAPEUTIC COMPOSITIONS TZIANABOS ARTHUR 2011-03-10 — — 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-20110059172-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, ACP1, TUBB3 CYP19A1 4495/4885TP53 139/4885ALDH1A1 1769/4885

“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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