SCHEMBL12149641

SCHEMBL12149641

COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.89
LMNA P02545 2/20 0.89
HPGD P15428 2/20 0.89
ABCC4 O15439 1/20 0.89
NR1I2 O75469 1/20 0.89
ABCB11 O95342 1/20 0.89
SLC6A4 P31645 1/20 0.89
KCNH2 Q12809 1/20 0.89
PDE3A Q14432 1/20 0.89
IMPDH2 P12268 18/20 0.65
IMPDH1 P20839 15/20 0.65
HDAC3 O15379 3/20 0.62
HDAC4 P56524 3/20 0.62
HDAC1 Q13547 3/20 0.62
HDAC7 Q8WUI4 3/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC10 Q969S8 3/20 0.62
HDAC11 Q96DB2 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62

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
SCHEMBL14004413 0.96 ALDH1A1 (0.85) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9807884 0.95 ALDH1A1 (0.84) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL12151376 0.95 ALDH1A1 (0.84) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9807876 0.95 ALDH1A1 (0.84) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL13524582 0.95 ALDH1A1 (0.83) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL13524503 0.95 ALDH1A1 (0.89) ALDH1A1LMNAHPGDABCC4NR1I2
Hydrochloric Acid SCHEMBL9807934 0.94 ALDH1A1 (0.82) ALDH1A1LMNAHPGDABCC4NR1I2
Hydrochloric Acid SCHEMBL9807931 0.94 ALDH1A1 (0.82) ALDH1A1LMNAHPGDABCC4NR1I2
Mycophenolate Mofetil SCHEMBL23581135 0.94 ALDH1A1 (1.00) ALDH1A1LMNAHPGDABCC4NR1I2
Mycophenolate Mofetil SCHEMBL4195 0.94 ALDH1A1 (1.00) ALDH1A1LMNAHPGDABCC4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220143038-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF PURETECH LYT, INC. (US) 2022-05-12 US disclosed
US-20200390777-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2020-12-17 US disclosed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 US disclosed
US-7427636-B2 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-09-23 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 (8 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ALDH1A1 4754/4885LMNA 2918/4885HPGD 4200/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ALDH1A1 4754/4885LMNA 2918/4885HPGD 4200/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG ALDH1A1 4028/4885LMNA 4759/4885HPGD 1269/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ALDH1A1 4754/4885LMNA 2918/4885HPGD 4200/4885
US-20200390777-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF MALT1, CYP2B6, LIPA ALDH1A1 959/4885LMNA 4002/4885HPGD 1271/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES ALDH1A1 3467/4885LMNA 2591/4885HPGD 594/4885
US-20220143038-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF MALT1, CYP2B6, LIPA ALDH1A1 959/4885LMNA 4002/4885HPGD 1271/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN ALDH1A1 3678/4885LMNA 2680/4885HPGD 3034/4885

“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.