SCHEMBL19821452

SCHEMBL19821452

CCCCCCCCCCCCCCOc1ccc(C(=O)OCC(=O)CC)o1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ PLA2G4B P0C869 8/20 0.43
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PLA2G4A P47712 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MMP2 P08253 1/20 0.38

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
SCHEMBL19821665 0.88 MEN1 (0.66) MEN1KMT2ATDP1PLA2G4BTSHR
SCHEMBL18013744 0.88 TDP1 (0.73) MEN1KMT2ATDP1TSHRALDH1A1
SCHEMBL11558044 0.86 MEN1 (0.71) MEN1KMT2ATDP1PLA2G4BTSHR
SCHEMBL11554831 0.86 MEN1 (0.71) MEN1KMT2ATDP1PLA2G4BTSHR
SCHEMBL992355 0.83 MEN1 (0.66) MEN1KMT2ATDP1TSHRALDH1A1
SCHEMBL991809 0.83 MEN1 (0.66) MEN1KMT2ATDP1TSHRALDH1A1
SCHEMBL18256284 0.83 MEN1 (0.66) MEN1KMT2ATDP1TSHRALDH1A1
SCHEMBL991850 0.82 MEN1 (0.73) MEN1KMT2ATDP1PLA2G4BTSHR
SCHEMBL11563597 0.82 MEN1 (0.73) MEN1KMT2ATDP1PLA2G4BTSHR
SCHEMBL10422665 0.82 MEN1 (0.77) MEN1KMT2ATDP1PLA2G4BTSHR

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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