SCHEMBL9515904

SCHEMBL9515904

CCCCO[C@H](C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 1/20 0.45
ZDHHC7 Q9NXF8 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.42
ACHE P22303 5/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 1/20 0.38
ABCB1 P08183 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL446324 1.00 CA1 (0.47) CA1CA2ALDH1A1ZDHHC7MAPT
SCHEMBL12309039 1.00 CA1 (0.47) CA1CA2ALDH1A1ZDHHC7MAPT
SCHEMBL2152481 0.92 ZDHHC7 (0.50) CA1CA2ZDHHC7ACHETSHR
SCHEMBL31110294 0.92 ZDHHC7 (0.50) CA1CA2ZDHHC7ACHETSHR
SCHEMBL28973678 0.92 ZDHHC7 (0.50) CA1CA2ZDHHC7ACHETSHR
SCHEMBL3030911 0.87 CA1 (0.41) CA1CA2ALDH1A1ZDHHC7MAPT
SCHEMBL9634932 0.87 CA1 (0.41) CA1CA2ALDH1A1ZDHHC7MAPT
SCHEMBL13715542 0.85 ALDH1A1 (0.52) ALDH1A1MAPTATMACHEHPGD
SCHEMBL445760 0.85 ALDH1A1 (0.52) ALDH1A1MAPTATMACHEHPGD
SCHEMBL14570068 0.83 ALDH1A1 (0.45) ALDH1A1ATMHPGDTSHRSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497385-B2 Bryostatin analogues, synthetic methods and uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-07-30 US disclosed
US-20130123518-A1 Bryostatin Analogues, Synthetic Methods and Uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-05-16 US disclosed
US-20100280262-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-11-04 US disclosed
US-20090270492-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2009-10-29 US disclosed
US-20070270485-A1 Byrostatin analogues, synthetic methods and uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2007-11-22 US disclosed
US-7271185-B2 Optically active azole derivative and process for producing the same MITSUI CHEMICALS, INC. (JP) 2007-09-18 US disclosed
US-7256286-B2 Bryostatin analogues, synthetic methods and uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-08-14 US disclosed
EP-0277815-B1 Optically active-2-alkoxy-propyl ether and liquid crystal composition CHISSO CORP (JP) 1993-11-24 EP disclosed
US-5021191-A Ferroelectricity display elements; extremely small redution in crystal temperature region CHISSO CORPORATION (JP) 1991-06-04 US disclosed
EP-0277815-A2 Optically active-2-alkoxy-propyl ether and liquid crystal composition Chisso Corporation (JP) 1988-08-10 EP 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 (4 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-20090270492-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES PBK, TK1, BAK1 CA1 4651/4885CA2 4778/4885ALDH1A1 4526/4885
US-20070270485-A1 Byrostatin analogues, synthetic methods and uses BID, HASPIN, HPGDS CA1 3872/4885CA2 4747/4885ALDH1A1 4478/4885
US-20100280262-A1 BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES MCL1, PBK, BID CA1 4101/4885CA2 4764/4885ALDH1A1 4749/4885
US-20130123518-A1 Bryostatin Analogues, Synthetic Methods and Uses MCL1, PBK, BID CA1 4101/4885CA2 4764/4885ALDH1A1 4749/4885

“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.