SCHEMBL9112694

SCHEMBL9112694

CC(C)OP(=O)(OC(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HMGCR P04035 4/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 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
SCHEMBL19038877 0.87 CTSA (0.40) CTSAACHEALDH1A1L3MBTL1HMGCR
SCHEMBL29159410 0.85 CTSA (0.39) CTSAACHEALDH1A1L3MBTL1HMGCR
SCHEMBL4895468 0.78 CTSA (0.42) CTSAACHEALDH1A1L3MBTL1HMGCR
SCHEMBL29868598 0.74 CTSA (0.57) CTSAACHEALDH1A1L3MBTL1HMGCR
SCHEMBL9614591 0.74 CTSA (0.43) CTSAACHEALDH1A1L3MBTL1HMGCR
SCHEMBL3437037 0.74 CTSA (0.50) CTSAACHEALDH1A1L3MBTL1HMGCR
SCHEMBL10308654 0.74 CTSA (0.43) CTSAACHEALDH1A1L3MBTL1HMGCR
SCHEMBL3975395 0.74 CTSA (0.43) CTSAACHEALDH1A1L3MBTL1KDM4E
SCHEMBL11045983 0.74 CTSA (0.39) CTSAACHEALDH1A1L3MBTL1HMGCR
SCHEMBL14111921 0.74 CTSA (0.39) CTSAACHEALDH1A1L3MBTL1HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5359115-A Reacting phosphonic monoester with dialkylazodicarboxylate, triphenylphosphine and secondary alcohol to form diester, hydrolyzing selective ester to form monoester, coupling an aminoacid to yield peptidylphosphonate AFFYMAX TECHNOLOGIES, N.V. (US) 1994-10-25 US claimed
US-20180179242-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. 2018-06-28 US disclosed
US-9951096-B2 Catalysts and methods for polymer synthesis SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2018-04-24 US disclosed
US-9856349-B2 Catalysts and methods for polymer synthesis SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2018-01-02 US disclosed
US-20170183369-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-06-29 US disclosed
US-20170107241-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS NOVOMER, INC. (US) 2017-04-20 US disclosed
US-20170080409-A1 CATALYSTS FOR EPOXIDE CARBONYLATION NOVOMER, INC. (US) 2017-03-23 US disclosed
US-9505878-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2016-11-29 US disclosed
US-9403861-B2 Salen complexes with dianionic counterions NOVOMER, INC. (US) 2016-08-02 US disclosed
US-9394326-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2016-07-19 US disclosed
US-20130172524-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-07-04 US disclosed
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 US disclosed
US-20130144031-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 US disclosed
US-20130144033-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 US disclosed
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2011-06-23 US disclosed
EP-0659188-A4 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS. AFFYMAX TECH NV (AN) 1995-11-22 EP disclosed
EP-0659188-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1995-06-28 EP disclosed
US-5420328-A Esterification with alcohol and hydrolysis AFFYMAX TECHNOLOGIES, N.V. (AN) 1995-05-30 US disclosed
US-5359115-A Reacting phosphonic monoester with dialkylazodicarboxylate, triphenylphosphine and secondary alcohol to form diester, hydrolyzing selective ester to form monoester, coupling an aminoacid to yield peptidylphosphonate AFFYMAX TECHNOLOGIES, N.V. (US) 1994-10-25 US disclosed
WO-1994006808-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1994-03-31 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 (6 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-20170107241-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS NCLN, POLN, NCL CTSA 3427/4885ACHE 2460/4885ALDH1A1 3519/4885
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CTSA 3327/4885ACHE 289/4885ALDH1A1 2255/4885
US-20180179242-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CTSA 3327/4885ACHE 289/4885ALDH1A1 2255/4885
US-20130144033-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CTSA 3327/4885ACHE 289/4885ALDH1A1 2255/4885
US-20170183369-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CTSA 3327/4885ACHE 289/4885ALDH1A1 2255/4885
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CTSA 3327/4885ACHE 289/4885ALDH1A1 2255/4885

“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.