SCHEMBL5936764

SCHEMBL5936764

CCOC(=O)C1(NCl)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LATS1 O95835 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 6/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
LMNA P02545 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL9886521 0.92 MGAM (0.39) MEN1KMT2ASMN1; SMN2MGAMGAA
SCHEMBL12683544 0.82 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2LATS1MGAM
SCHEMBL8193799 0.79 MAPT (0.43) MEN1KMT2AALDH1A1LMNA
SCHEMBL14960649 0.79 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2LATS1MGAM
Hydrochloric Acid SCHEMBL2785831 0.79 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2LATS1MGAM
Hydrochloric Acid SCHEMBL32674100 0.79 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2LATS1MGAM
SCHEMBL8950840 0.79 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2LATS1MGAM
SCHEMBL27570845 0.78 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2LATS1MGAM
SCHEMBL28931135 0.78 CYP2C19 (0.40) MEN1KMT2ASMN1; SMN2LATS1MGAM
SCHEMBL15461468 0.76 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2LATS1MGAM

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-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
EP-2326180-B1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20110224228-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-15 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 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 (3 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-20110224228-A1 ANTIFUNGAL AGENTS GMDS, GBA3, UGGT1 MEN1 718/4885KMT2A 4698/4885SMN1; SMN2 3959/4885
US-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H MEN1 3607/4885KMT2A 1689/4885SMN1; SMN2 785/4885
US-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 MEN1 736/4885KMT2A 4676/4885SMN1; SMN2 3768/4885

“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.