SCHEMBL129790

SCHEMBL129790

COc1c(CO)cccc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.44
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
APOBEC3G Q9HC16 1/20 0.39
IDO1 P14902 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 1/20 0.37
POLB P06746 1/20 0.37
CA1 P00915 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL16955330 0.91 GABRA1 (0.46) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL129805 0.89 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL12683752 0.88 ALOX5 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL4897798 0.87 PDCD1 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL95873 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPK1CA2
SCHEMBL1836066 0.87 CA1 (0.48) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL10946385 0.87 PDCD1 (0.46) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL1679589 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL3328387 0.85 KMT2A (0.40) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL560783 0.85 MEN1 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
US-20090221702-A1 COMPOUNDS IMPERIAL INNOVATIONS LIMITED (GB) 2009-09-03 US disclosed
EP-1879562-A2 PHENOL DERIVATIVES AND THEIR USE TO MODULATE PKB ACTIVITY Imperial Innovations Limited (GB) 2008-01-23 EP disclosed
WO-2006097744-A2 PHENOL DERIVATIVES AND THEIR USE TO MODULATE PKB ACTIVITY IMPERIAL INNOVATIONS LIMITED (GB) 2006-09-21 WO disclosed
EP-0735425-B1 Esterification product of aromatic novolak resin with quinone diazide sulfonyl compound SHIPLEY CO LLC (US) 2003-06-04 EP disclosed
US-5589553-A PHOTORESISTS SHIPLEY COMPANY, L.L.C. (US) 1996-12-31 US disclosed
EP-0735425-A2 Esterification product of aromatic novolak resin with quinone diazide sulfonyl compound Shipley Company LLC (US) 1996-10-02 EP 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 ALDH1A1 3341/4885SMN1; SMN2 3496/4885KDM4E 2572/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L ALDH1A1 2930/4885SMN1; SMN2 3296/4885KDM4E 2001/4885
US-20090221702-A1 COMPOUNDS NCEH1, NME2, HRH3 ALDH1A1 3748/4885SMN1; SMN2 3298/4885KDM4E 2343/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L ALDH1A1 3376/4885SMN1; SMN2 3143/4885KDM4E 1992/4885

“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.