SCHEMBL3556461

SCHEMBL3556461

CC(CCCl)OC(=O)OC(C)CCCl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.38
TSHR P16473 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
TBXA2R P21731 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 1/20 0.31
GALR3 O60755 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL12986884 0.84 FAAH (0.46) FAAHMAPTCNR1CNR2TRPV1
SCHEMBL3556464 0.83
SCHEMBL9661123 0.81
SCHEMBL6420391 0.79 MAPK1 (0.48) FAAHTSHRCHRM2CHRM4CHRM1
SCHEMBL2987189 0.79 TSHR (0.34) FAAHTSHRCHRM2CHRM4CHRM1
SCHEMBL4812705 0.77 TSHR (0.33) FAAHTSHRCHRM2CHRM4CHRM1
SCHEMBL33485 0.77 FAAH (0.40) FAAHTSHRCHRM2CHRM4CHRM1
SCHEMBL14991062 0.77 CA1 (0.39) FAAHTSHRCHRM2CHRM4CHRM1
SCHEMBL502266 0.73 FAAH (0.50) FAAHMAPK1LMNACNR1CNR2
SCHEMBL16241152 0.73 ALDH1A1 (0.32) FAAHTSHRCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104974188-A Tenofovir disoproxil crystal form and preparation method thereof ZHEJIANG JIUZHOU PHARM CO LTD 2015-10-14 CN claimed
CN-104974188-B A kind of tenofovir disoproxil crystal form and preparation method thereof 浙江九洲药业股份有限公司 2019-01-08 CN disclosed
CN-104974188-A Tenofovir disoproxil crystal form and preparation method thereof ZHEJIANG JIUZHOU PHARM CO LTD 2015-10-14 CN disclosed
CN-101463045-B Thiophosphate nucleotide compound HEFEI HENGXING PHARMACEUTICAL INST 2011-08-31 CN disclosed
CN-101921294-A Substituted benzodihydropyran derivatives and anti-tumor application thereof ANHUI HUAKANG MEDICINE TECHNOLOGY DEV CO LTD 2010-12-22 CN disclosed
US-7737273-B2 Process for acyclic phosphonate nucleotide analogs HETERO DRUGS LIMITED (IN) 2010-06-15 US disclosed
US-7737273-B2 Process for acyclic phosphonate nucleotide analogs HETERO DRUGS LIMITED (IN) 2010-06-15 US disclosed
CN-101463045-A Thiophosphate nucleotide compound HEFEI HENGXING PHARMACEUTICAL (CN) 2009-06-24 CN disclosed
US-20090012292-A1 NOVEL PROCESS FOR ACYCLIC PHOSPHONATE NUCLEOTIDE ANALOGS HETERO DRUGS LIMITED (IN) 2009-01-08 US disclosed
US-20090012292-A1 NOVEL PROCESS FOR ACYCLIC PHOSPHONATE NUCLEOTIDE ANALOGS HETERO DRUGS LIMITED (IN) 2009-01-08 US disclosed
EP-1243593-A2 Nucleotide analog composition and synthesis method GILEAD SCIENCES, INC. (US) 2002-09-25 EP disclosed
US-6069249-A CHEMICAL INTERMEDIATES; DETECTION LABELS FOR NUCLEOTIDE PROBES GILEAD SCIENCES, INC. (US) 2000-05-30 US disclosed
EP-0998480-A1 NUCLEOTIDE ANALOG COMPOSITION AND SYNTHESIS METHOD GILEAD SCIENCES, INC. (US) 2000-05-10 EP disclosed
US-6043230-A Use of tenofovir disoproxil fumarate in treatment of HIV GILEAD SCIENCES, INC. (US) 2000-03-28 US disclosed
US-5977089-A ORALLY ADMINISTERING TENOFOVIR DERIVATIVES GILEAD SCIENCES, INC. (US) 1999-11-02 US disclosed
US-5935946-A TENOFOVIR DISOPROXIL FUMARATE; ANTIVIRAL THERAPY GILEAD SCIENCES, INC. (US) 1999-08-10 US disclosed
US-5922695-A COMPOUNDS CONTAINING CARBONATE OR CARBAMATE GROUPS GILEAD SCIENCES, INC. (US) 1999-07-13 US disclosed
EP-0915894-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1999-05-19 EP disclosed
WO-1999005150-A1 NUCLEOTIDE ANALOG COMPOSITION AND SYNTHESIS METHOD GILEAD SCIENCES, INC. (US) 1999-02-04 WO disclosed
WO-1998004569-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1998-02-05 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 (1 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-20090012292-A1 NOVEL PROCESS FOR ACYCLIC PHOSPHONATE NUCLEOTIDE ANALOGS TYMP, DUT, DPYD FAAH 1215/4885TSHR 3877/4885CHRM2 3411/4885

“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.