SCHEMBL1056428

SCHEMBL1056428

COCCC(OC)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.46
HTT P42858 4/20 0.43
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
IDO1 P14902 1/20 0.36
AOC3 Q16853 1/20 0.36
RAB9A P51151 1/20 0.36
AGXT P21549 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL6512943 0.82 RCE1 (0.49) RCE1HTTKMT2ANPC1MAPT
SCHEMBL29118548 0.81 TSHR (0.41) RCE1HTTKMT2ANPC1MAPT
SCHEMBL28246143 0.81 RCE1 (0.50) RCE1HTTKMT2ANPC1MAPT
SCHEMBL7814719 0.81 RCE1 (0.44) RCE1HTTKMT2ANPC1TSHR
SCHEMBL27382395 0.80 TSHR (0.40) RCE1HTTKMT2AMAPTTSHR
SCHEMBL21677653 0.79 RCE1 (0.49) RCE1HTTKMT2ANPC1MAPT
SCHEMBL6512934 0.79 ALDH1A1 (0.43) RCE1KMT2ANPC1TSHRSLC1A3
SCHEMBL5566637 0.78 RCE1 (0.51) RCE1HTTKMT2ANPC1MAPT
SCHEMBL10528179 0.78 RCE1 (0.48) RCE1HTTKMT2ANPC1MAPT
SCHEMBL26601450 0.78 TSHR (0.52) RCE1HTTKMT2ANPC1MAPT

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 12 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
EP-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 EP disclosed
US-20040186127-A1 Novel deazapurines and uses thereof EISAI CO., LTD. (JP) 2004-09-23 US disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 WO 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 RCE1 1935/4885HTT 4769/4885KMT2A 1590/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 RCE1 1925/4885HTT 4766/4885KMT2A 1654/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 RCE1 1580/4885HTT 4573/4885KMT2A 963/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP RCE1 1520/4885HTT 4859/4885KMT2A 2445/4885

“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.