SCHEMBL10119911

SCHEMBL10119911

O=C1O[C@H]2C3CC([C@@H]2I)[C@H](C(=O)OCc2ccccc2)[C@H]13

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 4/20 0.45
FABP5 Q01469 4/20 0.45
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ELANE P08246 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL24409206 0.78 FABP7 (0.34) FABP7FABP5
SCHEMBL8580888 0.77 KMT2A (0.34) ALDH1A1HPGD
SCHEMBL24361895 0.77 FABP7 (0.31) FABP7
SCHEMBL10119910 0.76 KMT2A (0.56) FABP7FABP5ALDH1A1TSHR
SCHEMBL24409044 0.74 KMT2A (0.33)
SCHEMBL13197262 0.70 FABP7 (0.54) FABP7FABP5ALDH1A1TSHRCA1
SCHEMBL13197296 0.70 CA1 (0.62) FABP7FABP5ALDH1A1TSHRCA1
SCHEMBL13197284 0.70 CA1 (0.62) FABP7FABP5ALDH1A1TSHRCA1
SCHEMBL3285130 0.70 CA1 (0.62) FABP7FABP5ALDH1A1TSHRCA1
SCHEMBL7734190 0.70 FABP7 (0.54) FABP7FABP5ALDH1A1TSHRHPGD

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 8 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-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-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 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 (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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 FABP7 4149/4885FABP5 3342/4885ALDH1A1 4017/4885

“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.