SCHEMBL3204404

SCHEMBL3204404

CC[C](OC(C)=O)OC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
PRKCA P17252 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL7989586 0.91 ELANE (0.34) ALDH1A1TDP1PRKCAELANE
SCHEMBL9115541 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL214755 0.80 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL4316110 0.80 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL28018709 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1GAA
SCHEMBL27905902 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1GAA
SCHEMBL21831923 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1GAA
Methyl Alcohol SCHEMBL9630414 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1GAA
SCHEMBL5780612 0.73 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1GAA
SCHEMBL65267 0.71 ELANE (0.40) ALDH1A1TSHRPRKCAELANE

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4708955-A ANTIBACTERIALS BRISTOL-MYERS COMPANY (US) 1987-11-24 US claimed
US-7683211-B2 Jasmonate derivative compounds pharmaceutical compounds and methods of use thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2010-03-23 US disclosed
US-20080319066-A1 Jasmonate Derivative Compounds, Pharmaceuticals Compounds and Methods of Use Thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2008-12-25 US disclosed
US-20080281105-A1 Novel Quinolinium Salts and Derivatives IMMUSOL INCORPORATED (US) 2008-11-13 US disclosed
US-20080274998-A1 Disaccharide Molecules and Derivatives Thereof and Methods of Using Same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2008-11-06 US disclosed
US-7425651-B2 Jasmonate derivative compounds, pharmaceuticals compounds and methods of use thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2008-09-16 US disclosed
US-20070142474-A1 Jasmonate derivative compounds, pharmaceuticals compounds and methods of use thereof VIDAC PHARMA LTD. (IL) 2007-06-21 US disclosed
EP-1689696-A2 JASMONATE DERIVATIVE COMPOUNDS, PHARMACEUTICALS COMPOSITIONS AND METHODS OF USE THEREOF Ramot at Tel-Aviv University Ltd. (IL) 2006-08-16 EP disclosed
WO-2005076743-A2 DISACCHARIDE MOLECULES AND DERIVATIVES THEREOF AND METHODS OF USING SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-08-25 WO disclosed
WO-2005054172-A2 JASMONATE DERIVATIVE COMPOUNDS, PHARMACEUTICALS COMPOSITIONS AND METHODS OF USE THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2005-06-16 WO disclosed
WO-2001014879-A1 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-01 WO disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP disclosed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP disclosed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO disclosed
US-5336768-A Bactericides HOFFMANN-LA ROCHE INC. (US) 1994-08-09 US disclosed
EP-0451764-A1 Carbapenem compounds F. HOFFMANN-LA ROCHE AG (CH) 1991-10-16 EP disclosed
EP-0409081-A1 Beta-Lactam Derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-23 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-20080274998-A1 Disaccharide Molecules and Derivatives Thereof and Methods of Using Same MSN, MAN2B2, MASP2 ALDH1A1 4079/4885TSHR 2213/4885HSD17B10 4326/4885
US-20070142474-A1 Jasmonate derivative compounds, pharmaceuticals compounds and methods of use thereof BCL6, GGPS1, FDPS ALDH1A1 3349/4885TSHR 4695/4885HSD17B10 588/4885
US-20080281105-A1 Novel Quinolinium Salts and Derivatives NQO2, MCL1, KRAS ALDH1A1 3206/4885TSHR 3448/4885HSD17B10 4176/4885
US-20080319066-A1 Jasmonate Derivative Compounds, Pharmaceuticals Compounds and Methods of Use Thereof BCL6, GGPS1, FDPS ALDH1A1 3349/4885TSHR 4695/4885HSD17B10 588/4885

“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.