SCHEMBL10119910

SCHEMBL10119910

O=C1O[C@@H]2CC3CC2[C@@H]1[C@H]3C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
POLB P06746 3/20 0.55
MEN1 O00255 1/20 0.54
NPC1 O15118 2/20 0.51
GAA P10253 1/20 0.49
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 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
SCHEMBL24361372 0.76 KMT2A (0.52) KMT2APOLBMEN1NPC1GAA
SCHEMBL10119911 0.76 FABP7 (0.45) FABP7FABP5ALDH1A1TSHR
SCHEMBL24361124 0.76 KMT2A (0.51) KMT2APOLBMEN1NPC1GAA
SCHEMBL13255974 0.75 KMT2A (0.53) KMT2APOLBMEN1NPC1GAA
SCHEMBL15080525 0.72 FABP7 (0.58) KMT2AMEN1NPC1GAAFABP7
Hydrochloric Acid SCHEMBL597886 0.72 TSHR (0.51) KMT2APOLBMEN1NPC1GAA
SCHEMBL24944135 0.72 POLB (0.44) KMT2APOLBMEN1NPC1GAA
SCHEMBL24361049 0.72 ALDH1A1 (0.46) KMT2APOLBMEN1NPC1GAA
SCHEMBL14827593 0.72 FABP7 (0.55) NPC1FABP7FABP5ALDH1A1SMN1; SMN2
SCHEMBL14827596 0.72 FABP7 (0.48) KMT2AFABP7FABP5L3MBTL1ALDH1A1

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 KMT2A 3432/4885POLB 491/4885MEN1 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.