SCHEMBL7226347

SCHEMBL7226347

C=CCOC1O[C@H](COC(=O)CCCCCCC)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ SELP P16109 5/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MDM2 Q00987 2/20 0.40
▸ TNF P01375 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36

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
SCHEMBL10960740 0.93 SELP (0.42) LMNASELP
SCHEMBL10960734 0.87 MCHR1 (0.48) SELP
SCHEMBL7781941 0.85 KMT2A (0.44) LMNAKMT2APOLBSELPTP53
SCHEMBL8822954 0.83 TP53 (0.49) LMNAKMT2APOLBTP53MDM2
SCHEMBL7233754 0.82 L3MBTL1 (0.44) LMNAKMT2APOLBTP53MDM2
SCHEMBL965417 0.82 TP53 (0.49) LMNAKMT2APOLBTP53MDM2
SCHEMBL965416 0.82 TP53 (0.49) LMNAKMT2APOLBTP53MDM2
SCHEMBL7227900 0.80 POLB (0.43) LMNAKMT2APOLBTP53MDM2
SCHEMBL9472943 0.79 POLB (0.53) LMNAKMT2APOLBSELPTNF
SCHEMBL9472639 0.79 POLB (0.53) LMNAKMT2APOLBSELPTNF

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-6624190-B2 Useful as biodegradable surfactants and in enzymatic processes using a chitinase (N-acetylglucosaminidase) UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 2003-09-23 — — US disclosed
US-20020028954-A1 2-acylamino-2-deoxy-glucono-1,5-lactones, a method for the production thereof, compositions containing them, and uses thereof UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 2002-03-07 — — 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-20020028954-A1 2-acylamino-2-deoxy-glucono-1,5-lactones, a method for the production thereof, compositions containing them, and uses thereof ENGASE, FUT5, CHIT1 LMNA 1710/4885KMT2A 4089/4885POLB 1945/4885

“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.

Send feedback