SCHEMBL1060072

SCHEMBL1060072

CCC(Nc1ccccc1)C1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 3/20 0.36
THRB P10828 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX12 P18054 2/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CASP1 P29466 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 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
Hydrochloric Acid SCHEMBL27294725 0.76 IDH1 (0.43) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL4649302 0.74 TSHR (0.46) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL28721701 0.69 TDP1 (0.38) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL8744961 0.69 TDP1 (0.50) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL51781 0.68 CHRM2 (0.44) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL837472 0.68 SIGMAR1 (0.48)
SCHEMBL14600528 0.68 SIGMAR1 (0.48)
SCHEMBL12050576 0.68 SIGMAR1 (0.48)
SCHEMBL15705177 0.68 SIGMAR1 (0.48)
SCHEMBL22204385 0.68

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 13 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

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 TDP1 656/4885TSHR 2104/4885ALDH1A1 158/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 TDP1 640/4885TSHR 2150/4885ALDH1A1 167/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 TDP1 317/4885TSHR 4009/4885ALDH1A1 168/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP TDP1 275/4885TSHR 3276/4885ALDH1A1 88/4885

“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.