SCHEMBL19821454

SCHEMBL19821454

CCCCCCCCCCCCCCCCOc1ccc(C(=O)OCC(=O)N(C)CC(=O)OCC)o1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ LTA4H P09960 3/20 0.40
▸ PPARA Q07869 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PLA2G4B P0C869 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35

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
Olumacostat Glasaretil SCHEMBL14856848 1.00 MEN1 (0.54) MEN1KMT2ATDP1LTA4HPPARA
SCHEMBL19821453 1.00 MEN1 (0.54) MEN1KMT2ATDP1LTA4HPPARA
SCHEMBL19821451 0.99 MEN1 (0.53) MEN1KMT2ATDP1LTA4HPPARA
SCHEMBL19821455 0.93 MEN1 (0.53) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL19821448 0.90 MEN1 (0.55) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL19821449 0.90 MEN1 (0.55) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL19821447 0.90 MEN1 (0.55) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL19821444 0.90 MEN1 (0.55) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL19821445 0.90 MEN1 (0.55) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL19825249 0.84 HDAC4 (0.40) MEN1KMT2ATDP1ALDH1A1MAPT

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-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

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 MEN1 3030/4885KMT2A 339/4885TDP1 2071/4885

“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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