SCHEMBL499774

SCHEMBL499774

CCCCC[CH]c1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL6687128 0.94 GAA (0.46) GAAALDH1A1MAPTHSD17B10TSHR
SCHEMBL23345540 0.80 GAA (0.42) GAAALDH1A1MAPTTSHRRAB9A
SCHEMBL16135283 0.80 GAA (0.42) GAAALDH1A1MAPTTSHRRAB9A
SCHEMBL16135284 0.76 TRPV1 (0.42) ALDH1A1HSD17B10TSHRLMNAKDM4E
SCHEMBL23345472 0.76 TRPV1 (0.46) GAAALDH1A1MAPTHSD17B10MEN1
SCHEMBL28040000 0.72 GAA (0.44) GAAALDH1A1MAPTTSHRLMNA
SCHEMBL10384639 0.71 MAPT (0.40) GAAALDH1A1MAPTHSD17B10TSHR
SCHEMBL27644092 0.69
SCHEMBL38728 0.67 LMNA (0.46) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL302971 0.65 TDP1 (0.47) MAPTTSHRMEN1LMNAKMT2A

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
EP-2373661-B1 NEW STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER SA (ES) 2013-03-20 EP disclosed
US-8106224-B2 Stereospecific method for the preparation of dioxa-bicyclooctane nitrate compounds LACER, S.A. (ES) 2012-01-31 US disclosed
US-20110251409-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER, S.A. (ES) 2011-10-13 US disclosed
EP-2149577-B1 New stereospecific method for the preparation of dioxa-bicyclooctane compounds LACER SA (ES) 2011-04-27 EP disclosed
US-20100160652-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER, S.A. (ES) 2010-06-24 US disclosed
EP-2199294-A1 New stereospecific method for the preparation of dioxa bicyclooctane nitrate compounds LACER, S.A. (ES) 2010-06-23 EP disclosed
EP-2149577-A1 New stereospecific method for the preparation of dioxa-bicyclooctane compounds LACER, S.A. (ES) 2010-02-03 EP disclosed
US-7635782-B1 Stereospecific method for the preparation of dioxa-bicyclooctane compounds LACER, S.A. (ES) 2009-12-22 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-20110251409-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS TST, NOS3, NOS1 GAA 3162/4885ALDH1A1 799/4885MAPT 4707/4885
US-20100160652-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS TST, NOS3, NOS1 GAA 3277/4885ALDH1A1 771/4885MAPT 4723/4885

“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.