SCHEMBL3732071

SCHEMBL3732071

COc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.54
ELANE P08246 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.49
MIF P14174 1/20 0.49
MMP9 P14780 2/20 0.49
MMP1 P03956 1/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MMP2 P08253 1/20 0.48
MMP12 P39900 1/20 0.48
FFAR1 O14842 1/20 0.47
LDHA P00338 1/20 0.47
PRKCA P17252 1/20 0.47

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
SCHEMBL27305897 0.89 ELANE (0.52) RAB9AMAPTL3MBTL1ALDH1A1ELANE
SCHEMBL3736517 0.88 ALDH1A1 (0.53) RAB9AMAPTALDH1A1HTTNPC1
SCHEMBL8636288 0.86 ALDH1A1 (0.54) RAB9AMAPTALDH1A1HTTNPC1
SCHEMBL19872027 0.85 ALDH1A1 (0.50) RAB9AALDH1A1HTTNPC1POLB
SCHEMBL3731737 0.85 ALDH1A1 (0.50) RAB9AMAPTALDH1A1HTTNPC1
SCHEMBL18400889 0.85 MIF (0.47) RAB9AMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL18074587 0.84 ELANE (0.50) RAB9AMAPTL3MBTL1ALDH1A1ELANE
SCHEMBL10551219 0.84 ALDH1A1 (0.53) RAB9AMAPTALDH1A1HTTNPC1
SCHEMBL27339923 0.83 ALDH1A1 (0.49) RAB9AMAPTALDH1A1HTTNPC1
SCHEMBL7175493 0.83 ALDH1A1 (0.52) RAB9AMAPTL3MBTL1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476642-B Compounds and their use for reducing uric acid levels 阿奎斯特有限责任公司 2022-01-25 CN disclosed
US-10011603-B2 Process for preparing a carbapenem antibiotic JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-07-03 US disclosed
US-10011603-B2 Process for preparing a carbapenem antibiotic JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-07-03 US disclosed
US-20170210744-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-07-27 US disclosed
US-20170210744-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-07-27 US disclosed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
US-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
WO-2008072053-A2 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-06-19 WO disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 US disclosed
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP disclosed
EP-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 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 (5 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-10011603-B2 Process for preparing a carbapenem antibiotic MGAM, HAMP, MB RAB9A 1404/4885MAPT 3944/4885L3MBTL1 3572/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 RAB9A 1881/4885MAPT 3289/4885L3MBTL1 2163/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 RAB9A 1697/4885MAPT 4482/4885L3MBTL1 3294/4885
US-20170210744-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC MGAM, HAMP, MB RAB9A 1404/4885MAPT 3944/4885L3MBTL1 3572/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 RAB9A 4637/4885MAPT 3949/4885L3MBTL1 521/4885

“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.