SCHEMBL15423536

SCHEMBL15423536

CC(C)OCCOc1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GRM4 Q14833 2/20 0.36
ALDH1A1 P00352 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.32
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL16511359 0.76 TSHR (0.43) TSHRHPGDMEN1KMT2AGRM4
SCHEMBL18994390 0.76 TDP1 (0.44) MEN1KMT2AMAPK1HTTTDP1
SCHEMBL9269825 0.75 ALDH1A1 (0.45) TSHRHPGDKMT2AALDH1A1CYP2C9
SCHEMBL6423669 0.75 TSHR (0.41) TSHRGRM4L3MBTL1POLBMAPK1
SCHEMBL17421663 0.72 TSHR (0.40) TSHRHPGDMEN1KMT2AGRM4
SCHEMBL19173053 0.72 GRM4 (0.52) TSHRHPGDMEN1KMT2AGRM4
SCHEMBL4280446 0.72 NPC1 (0.46) HPGDMEN1KMT2AALDH1A1CYP2C9
SCHEMBL18881729 0.71 NCF1 (0.40) GRM4ALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL10947940 0.71 MEN1 (0.31) TSHRHPGDMEN1KMT2A
SCHEMBL15423534 0.71 ALDH1A1 (0.58) TSHRHPGDMEN1KMT2AALDH1A1

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
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 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 (6 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-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 TSHR 4507/4885HPGD 779/4885MEN1 3724/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 TSHR 4413/4885HPGD 623/4885MEN1 3419/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 TSHR 4413/4885HPGD 623/4885MEN1 3419/4885
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC TSHR 4016/4885HPGD 1468/4885MEN1 4156/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 TSHR 4413/4885HPGD 623/4885MEN1 3419/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC TSHR 4016/4885HPGD 1468/4885MEN1 4156/4885

“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.