SCHEMBL19825249

SCHEMBL19825249

CCOC(=O)CN(C)C(=O)COC(=O)c1ccc(OC)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 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
SCHEMBL19825332 0.99 HDAC4 (0.39) HDAC4HDAC6TSHRALDH1A1GLA
SCHEMBL19825330 0.91 L3MBTL1 (0.38) TSHRALDH1A1GLAKMT2ALMNA
SCHEMBL19825410 0.89 L3MBTL1 (0.35) HDAC4HDAC6TSHRALDH1A1GLA
SCHEMBL11980695 0.88 TDP1 (0.46) HDAC4HDAC6TSHRALDH1A1GLA
SCHEMBL19287236 0.85 HDAC4 (0.42) HDAC4HDAC6TSHRALDH1A1CA12
SCHEMBL19821454 0.84 MEN1 (0.54) HDAC4HDAC6TSHRALDH1A1MEN1
Olumacostat Glasaretil SCHEMBL14856848 0.84 MEN1 (0.54) HDAC4HDAC6TSHRALDH1A1MEN1
SCHEMBL19821453 0.84 MEN1 (0.54) HDAC4HDAC6TSHRALDH1A1MEN1
SCHEMBL19821451 0.83 MEN1 (0.53) HDAC4HDAC6TSHRALDH1A1MEN1
SCHEMBL28817917 0.81 HDAC4 (0.57) HDAC4HDAC6TSHRALDH1A1GLA

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-20180028487-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE DERMIRA, INC. 2018-02-01 — — US disclosed
WO-2018022797-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE DERMIRA INC. (US) 2018-02-01 — — WO 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-20180028487-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE CUTA, CYP1A2, DPM1 HDAC4 3915/4885HDAC6 2854/4885TSHR 3922/4885

“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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