SCHEMBL17208385

SCHEMBL17208385

CCC(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 2/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
HSD11B1 P28845 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
SCHEMBL7737609 1.00 ALDH1A1 (0.35) ALDH1A1NPC1EPHX1KDM4EALOX15
SCHEMBL15199188 1.00 ALDH1A1 (0.35) ALDH1A1NPC1EPHX1KDM4EALOX15
SCHEMBL13267738 0.93 ALDH1A1 (0.36) ALDH1A1NPC1EPHX1KDM4EALOX15
SCHEMBL256670 0.89
SCHEMBL14188604 0.83 ALDH1A1 (0.37) ALDH1A1NPC1EPHX1KDM4EALOX15
SCHEMBL13018343 0.82 ALDH1A1 (0.34) ALDH1A1NPC1EPHX1KDM4EALOX15
SCHEMBL256032 0.81
SCHEMBL2128026 0.81
SCHEMBL27787478 0.81 TDP1 (0.33) ALDH1A1MAPTSMN1; SMN2TDP1FFAR3
SCHEMBL4433068 0.80 ALDH1A1 (0.47) ALDH1A1NPC1EPHX1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790212-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-10-17 US disclosed
US-20170029412-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-02-02 US disclosed
US-9505745-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-29 US disclosed
US-20160102083-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-04-14 US disclosed
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. 2015-10-29 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 (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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALDH1A1 607/4885NPC1 1741/4885EPHX1 4012/4885
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES ABL1, LCK, FLT3 ALDH1A1 3678/4885NPC1 3517/4885EPHX1 2845/4885
US-20160102083-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, BMI1, EZH1 ALDH1A1 2517/4885NPC1 2126/4885EPHX1 1498/4885
US-20170029412-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, BMI1, EZH1 ALDH1A1 2517/4885NPC1 2126/4885EPHX1 1498/4885

“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.