SCHEMBL8950840

SCHEMBL8950840

CCOC(=O)C1(NC(C)=O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LATS1 O95835 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.34
OPRM1 P35372 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 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
SCHEMBL9782049 0.92 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAHSD17B10MGAM
SCHEMBL12323481 0.84 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2ALATS1
SCHEMBL28931135 0.84 CYP2C19 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ALATS1
SCHEMBL12683544 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2ALATS1
SCHEMBL9613243 0.80 MAPT (0.50) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7722770 0.80 MAPT (0.41) SMN1; SMN2ALDH1A1MEN1KMT2ALATS1
SCHEMBL10890944 0.80 MAPT (0.38) SMN1; SMN2ALDH1A1MEN1KMT2ALATS1
SCHEMBL5936764 0.79 MEN1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ALATS1
SCHEMBL19442305 0.79 MGAM (0.39) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL1351011 0.78 LATS1 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2ALATS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
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-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20110224228-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-15 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
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US disclosed
WO-2010019206-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO 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 (2 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 SMN1; SMN2 3959/4885ALDH1A1 720/4885MEN1 718/4885
US-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 SMN1; SMN2 3768/4885ALDH1A1 678/4885MEN1 736/4885

“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.