SCHEMBL1058264

SCHEMBL1058264

CC(C)(C)OC(=O)n1ccc2ccc(/C=C/CO)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
ACHE P22303 3/20 0.36
BACE1 P56817 2/20 0.36
HDAC1 Q13547 1/20 0.36
NR1H2 P55055 4/20 0.36
PIK3CD O00329 2/20 0.35
ABL1 P00519 2/20 0.35
EGFR P00533 2/20 0.35
HCK P08631 2/20 0.35
SRC P12931 2/20 0.35
KDR P35968 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
MTOR P42345 2/20 0.35
PIK3CG P48736 2/20 0.35
EPHB4 P54760 2/20 0.35
PRKDC P78527 2/20 0.35
PI4KB Q9UBF8 2/20 0.35

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
SCHEMBL1058266 1.00 ALDH1A1 (0.36) ALDH1A1CYP3A4RECQLACHEBACE1
SCHEMBL1057492 0.90 PIK3CD (0.41) ALDH1A1CYP3A4RECQLACHEHDAC1
SCHEMBL1057494 0.90 PIK3CD (0.41) ALDH1A1CYP3A4RECQLACHEHDAC1
SCHEMBL1056142 0.83 CYP2A6 (0.51) ALDH1A1RECQLACHEHDAC1NR1H2
SCHEMBL29853981 0.83 CYP2A6 (0.51) ALDH1A1RECQLACHEHDAC1NR1H2
SCHEMBL1058737 0.82 PIK3CD (0.37) ALDH1A1ACHEHDAC1NR1H2PIK3CD
SCHEMBL1056549 0.82 TTR (0.46) ALDH1A1ACHEBACE1HDAC1NR1H2
SCHEMBL1056550 0.82 TTR (0.46) ALDH1A1ACHEBACE1HDAC1NR1H2
SCHEMBL1058177 0.82 AKT1 (0.39) ALDH1A1RECQLKDM4E
SCHEMBL1058176 0.82 AKT1 (0.39) ALDH1A1RECQLKDM4E

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-8691814-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-04-08 US disclosed
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 US disclosed
EP-1474425-B9 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2008-07-02 EP disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 US disclosed
EP-1707566-A1 Deazapurines and uses thereof Eisai Co., Ltd. (JP) 2006-10-04 EP disclosed
EP-1474425-B1 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-20050124649-A1 Deazapurines and uses thereof EISAI CO., LTD (JP) 2005-06-09 US disclosed
US-20040186127-A1 Novel deazapurines and uses thereof EISAI CO., LTD. (JP) 2004-09-23 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 (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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 ALDH1A1 158/4885CYP3A4 3261/4885RECQL 2028/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 ALDH1A1 167/4885CYP3A4 3236/4885RECQL 2066/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 ALDH1A1 168/4885CYP3A4 1616/4885RECQL 1373/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP ALDH1A1 88/4885CYP3A4 1918/4885RECQL 688/4885

“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.