SCHEMBL5055747

SCHEMBL5055747

CCCCOc1c(CO)oc(C)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
KCNA3 P22001 4/20 0.34
POLH Q9Y253 1/20 0.34
ELANE P08246 2/20 0.34

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
SCHEMBL11481775 0.82 ALDH2 (0.41) ALDH1A1MAPTELANESMN1; SMN2
SCHEMBL8268655 0.78 THRA (0.41) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL13413902 0.77 ALDH1A1 (0.44) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL2115557 0.75 IDH1 (0.50) ALDH1A1LMNAMAPTNPC1HPGD
SCHEMBL17403940 0.75 KDM4E (0.32) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL14065445 0.74 PTGS1 (0.35) KDM4EALDH1A1LMNAMAPTTHRB
SCHEMBL14640654 0.72 ALDH1A1 (0.46) KDM4EALDH1A1LMNANPC1HPGD
SCHEMBL5056587 0.72 TYR (0.40) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL7749630 0.71 KDM4E (0.41) KDM4EALDH1A1THRATHRBELANE
SCHEMBL13423056 0.71 MAPT (0.42) KDM4EALDH1A1LMNAMAPTCA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637705-B1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING KING S COLLEGE LONDON (GB) 2017-03-29 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9138495-B2 Conjugates and their uses in molecular imaging KING'S COLLEGE LONDON (GB) 2015-09-22 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20140056810-A1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING KING'S COLLEGE LONDON (GB) 2014-02-27 US disclosed
WO-2012063028-A1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING KING'S COLLEGE LONDON (GB) 2012-05-18 WO disclosed
US-20100098640-A1 Multidentate Pyrone-Derived Chelators for Medicinal Imaging and Chelation REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2010-04-22 US disclosed
US-20080076740-A1 Antiviral compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
WO-2007014352-A2 ANTIVIRAL PHOSPHONATE CONJUGATES FOR INHIBITION OF HIV GILEAD SCIENCES, INC. (US) 2007-02-01 WO disclosed
WO-2007002109-A2 MULTIDENTATE PYRONE-DERIVED CHELATORS FOR MEDICINAL IMAGING AND CHELATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-04 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 (5 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885LMNA 2945/4885
US-20140056810-A1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING PAICS, FOLH1, DSTYK KDM4E 2915/4885ALDH1A1 2141/4885LMNA 3138/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885LMNA 2945/4885
US-20100098640-A1 Multidentate Pyrone-Derived Chelators for Medicinal Imaging and Chelation DNM1, BET1, FOLH1 KDM4E 560/4885ALDH1A1 3797/4885LMNA 2576/4885
US-20080076740-A1 Antiviral compounds EIF2AK2, MAVS, ITPA KDM4E 2067/4885ALDH1A1 4716/4885LMNA 2219/4885

“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.