SCHEMBL1059031

SCHEMBL1059031

CCN(CC(O)COC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.44
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
ABCB1 P08183 2/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL11505275 0.89 TSHR (0.43) MAPTTSHRNR1H2NR1H3POLB
SCHEMBL8628573 0.86 MAPT (0.43) MAPTNR1H2NR1H3POLBMEN1
SCHEMBL11504825 0.85 TSHR (0.46) TSHRNR1H2NR1H3POLBNPC1
SCHEMBL9015952 0.84 KDM4E (0.48) MAPTTSHRPOLBALDH1A1LMNA
SCHEMBL8688334 0.84 MAPK1 (0.43) MAPTTSHRNR1H2NR1H3POLB
SCHEMBL11746154 0.82 TSHR (0.50) TSHRNR1H2NR1H3POLBNPC1
SCHEMBL1059610 0.81 TSHR (0.48) TSHRNR1H2NR1H3POLBNPC1
SCHEMBL10473979 0.80 TSHR (0.44) MAPTTSHRNR1H2NR1H3NPC1
SCHEMBL12930708 0.80 TSHR (0.44) MAPTTSHRNR1H2NR1H3NPC1
SCHEMBL19158147 0.79 MAPT (0.49) MAPTPOLBMEN1KMT2AALDH1A1

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 14 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-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 WO disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 WO disclosed
US-4160643-A FOR POLYMERS OF ACRYLONITRILE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 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 MAPT 3808/4885TSHR 2104/4885NR1H2 3913/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 MAPT 3807/4885TSHR 2150/4885NR1H2 3946/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 MAPT 3985/4885TSHR 4009/4885NR1H2 1772/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP MAPT 4228/4885TSHR 3276/4885NR1H2 2652/4885

“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.