SCHEMBL11371306

SCHEMBL11371306

CCOC(OCC)(OCC)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 5/20 0.47
▸ SRC P12931 1/20 0.47
▸ LMNA P02545 2/20 0.44
▸ CES2 O00748 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TSHR P16473 4/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10941335 0.85 ELANE (0.46) CES1SRCLMNAMEN1KMT2A
SCHEMBL9004611 0.82 CES1 (0.46) CES1SRCLMNACES2MEN1
SCHEMBL11251806 0.82 CES1 (0.46) CES1SRCLMNACES2MEN1
SCHEMBL7741777 0.82 SRC (0.50) CES1SRCLMNACES2MEN1
SCHEMBL34466536 0.82 SRC (0.50) CES1SRCLMNACES2MEN1
SCHEMBL34466866 0.81 CES1 (0.44) CES1SRCLMNACES2MEN1
SCHEMBL27768512 0.81 CES1 (0.44) CES1SRCLMNACES2MEN1
SCHEMBL10446200 0.81 CES1 (0.53) CES1SRCLMNACES2MEN1
SCHEMBL9005043 0.81 CES1 (0.44) CES1SRCLMNACES2MEN1
SCHEMBL9065321 0.79 CES1 (0.66) CES1SRCLMNACES2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102452910-B Preparation method for 3,4,5-trialkoxy phenol KUNMING PHARMACEUTICAL CORP 2014-09-03 — — CN disclosed
CN-102452910-A Method for preparing 3,4, 5-trialkoxy phenol KUNMING PHARMACEUTICAL CORP 2012-05-16 — — CN disclosed
CN-102171196-A Azole derivatives as inhibitors of fatty acid amide hydrolase MERCK & CO INC 2011-08-31 — — CN disclosed
US-7838110-B2 Aziridine-functional photoactive crosslinking compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-11-23 — — US disclosed
US-20100137469-A1 AZIRIDINE-FUNCTIONAL PHOTOACTIVE CROSSLINKING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2010-06-03 — — US disclosed
US-4251341-A DIALKOXY-ACETYL DERIVATIVES OF AROMATIC COMPOUNDS CIBA-GEIGY CORPORATION (US) 1981-02-17 — — 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-20100137469-A1 AZIRIDINE-FUNCTIONAL PHOTOACTIVE CROSSLINKING COMPOUNDS PTMA, PAM, AAAS CES1 3611/4885SRC 3996/4885LMNA 1982/4885

“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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