SCHEMBL10160864

SCHEMBL10160864

CC(C)C(=O)C12CCC(CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CA2 P00918 1/20 0.34
EPHX1 P07099 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL13160782 0.86 ALDH1A1 (0.35) ALDH1A1MAPTHTTNPSR1HSD17B10
SCHEMBL19718856 0.77 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10CA2EPHX1
SCHEMBL1082701 0.77 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10CA2EPHX1
SCHEMBL9512535 0.75 ALDH1A1 (0.42) ALDH1A1MAPTHTTNPSR1KMT2A
SCHEMBL26382348 0.74 SMN1; SMN2 (0.46) ALDH1A1MAPTNPSR1KMT2AHSD17B10
SCHEMBL28417551 0.74 ALDH1A1 (0.41) ALDH1A1MAPTHTTNPSR1KMT2A
SCHEMBL3079757 0.74 ALDH1A1 (0.41) ALDH1A1MAPTHTTNPSR1KMT2A
SCHEMBL27405417 0.74 ALDH1A1 (0.46) ALDH1A1HTTNPSR1KMT2A
SCHEMBL218350 0.72 ALDH1A1 (0.40) ALDH1A1HTTNPSR1KMT2AEPHX1
SCHEMBL152754 0.72 ALDH1A1 (0.40) ALDH1A1HTTNPSR1KMT2A

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-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (8 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885MAPT 3533/4885HTT 2315/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885MAPT 3132/4885HTT 3063/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALDH1A1 1806/4885MAPT 3533/4885HTT 2315/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885MAPT 3132/4885HTT 3063/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885MAPT 3132/4885HTT 3063/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885MAPT 3132/4885HTT 3063/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ALDH1A1 3872/4885MAPT 3548/4885HTT 3546/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885MAPT 3533/4885HTT 2315/4885

“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.