SCHEMBL10119921

SCHEMBL10119921

COc1ccc(COC(=O)[C@H]2C3C=CC(C3)[C@H]2C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 2/20 0.62
▸ FABP5 Q01469 2/20 0.62
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.43

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
SCHEMBL6737713 1.00 FABP7 (0.62) FABP7FABP5MEN1KMT2AALDH1A1
SCHEMBL6737457 0.87 FABP7 (0.52) FABP7FABP5MEN1KMT2AALDH1A1
SCHEMBL10119920 0.87 FABP7 (0.52) FABP7FABP5MEN1KMT2AALDH1A1
SCHEMBL5837028 0.85 FABP7 (0.60) FABP7FABP5ALDH1A1SMN1; SMN2POLB
SCHEMBL10119913 0.85 FABP7 (0.60) FABP7FABP5ALDH1A1SMN1; SMN2POLB
SCHEMBL5837030 0.85 FABP7 (0.60) FABP7FABP5ALDH1A1SMN1; SMN2POLB
SCHEMBL13197284 0.80 CA1 (0.62) FABP7FABP5KMT2AALDH1A1SMN1; SMN2
SCHEMBL13197296 0.80 CA1 (0.62) FABP7FABP5KMT2AALDH1A1SMN1; SMN2
SCHEMBL3285130 0.80 CA1 (0.62) FABP7FABP5KMT2AALDH1A1SMN1; SMN2
SCHEMBL23989737 0.79 FABP7 (0.58) FABP7FABP5KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 — — US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 — — US disclosed
US-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 — — US disclosed
US-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON COVALENT PARTNERS LLC 2010-06-17 — — US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 — — US disclosed
US-7563890-B2 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC (US) 2009-07-21 — — US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 — — US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 — — US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 — — 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 (2 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-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON ANXA6, THEM6, ANXA5 FABP7 90/4885FABP5 126/4885MEN1 1323/4885
US-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 FABP7 4149/4885FABP5 3342/4885MEN1 1259/4885

“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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