SCHEMBL683930

SCHEMBL683930

CCOc1ccc(C(C)C)cc1OCC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 4/20 0.46
BCHE P06276 3/20 0.46
HTT P42858 1/20 0.46
ALPL P05186 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TNF P01375 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL19237506 0.91 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL682781 0.90 GAA (0.56) ALDH1A1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL682779 0.90 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL13085679 0.89 TSHR (0.46) ALDH1A1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL17861684 0.86 ACHE (0.45) ALDH1A1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL18713791 0.86 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL12051877 0.86 ACHE (0.43) ALDH1A1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL11449830 0.84 KMT2A (0.48) ALDH1A1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL29654960 0.84 ACHE (0.63) ALDH1A1LMNASMN1; SMN2KMT2AACHE
SCHEMBL6055134 0.84 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2TSHRHTT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253035-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-04-09 US disclosed
US-10208000-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-02-19 US disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US disclosed
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-21 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 US disclosed
US-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-25 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 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 (11 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-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 ALDH1A1 1663/4885LMNA 3281/4885SMN1; SMN2 1522/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 ALDH1A1 1663/4885LMNA 3281/4885SMN1; SMN2 1522/4885
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ALDH1A1 1133/4885LMNA 2050/4885SMN1; SMN2 3093/4885
US-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 ALDH1A1 819/4885LMNA 2571/4885SMN1; SMN2 4876/4885
US-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 ALDH1A1 1232/4885LMNA 2930/4885SMN1; SMN2 4878/4885
US-10253035-B2 Eis inhibitors EP300, ACAT1, ACAT2 ALDH1A1 1232/4885LMNA 2930/4885SMN1; SMN2 4878/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ALDH1A1 1107/4885LMNA 2064/4885SMN1; SMN2 3269/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885LMNA 4466/4885SMN1; SMN2 3927/4885
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 ALDH1A1 313/4885LMNA 1808/4885SMN1; SMN2 3073/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH1A1 710/4885LMNA 1245/4885SMN1; SMN2 3935/4885
US-10208000-B2 Eis inhibitors ABCC1, ATP5ME, ABCG2 ALDH1A1 819/4885LMNA 2571/4885SMN1; SMN2 4876/4885

“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.