SCHEMBL723666

SCHEMBL723666

COCCCCCOC(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DNM1 Q05193 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 1/20 0.32
PIK3CD O00329 1/20 0.31
LPAR6 P43657 2/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR4 Q99677 2/20 0.30
LPAR5 Q9H1C0 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30
LPAR3 Q9UBY5 2/20 0.30

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
SCHEMBL12134032 1.00 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL6178482 0.97 ALDH1A1 (0.37) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL8017511 0.92
SCHEMBL11030766 0.88 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL13864131 0.88 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL5159311 0.88 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL5163869 0.88 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL2742856 0.87 ALDH1A1 (0.32) ALDH1A1TSHRL3MBTL1
SCHEMBL4609242 0.85 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL25566315 0.84 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2023-11-09 US disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
WO-2017075351-A1 POLYURETHANE BINDER CONTAINING ALCOHOL SOLVENT ASK CHEMICALS, L.P. (US) 2017-05-04 WO disclosed
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2016-03-24 US disclosed
EP-2598550-B1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2014-12-31 EP disclosed
US-20140300031-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALS, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2014-10-09 US disclosed
EP-2598550-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK Chemicals GmbH (DE) 2013-06-05 EP disclosed
US-8383583-B2 Macrocyclic, pyridazinone-containing hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
WO-2012025084-A1 BINDER SYSTEM BASED ON POLYURETHANE FOR PRODUCING CORES AND CASTING MOLDS USING CYCLIC FORMALDEHYDES, MOLDING MATERIAL MIXTURE, AND METHOD ASK CHEMICALS GMBH (DE) 2012-03-01 WO disclosed
US-20090123425-A1 MACROCYCLIC, PYRIDAZINONE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-05-14 US disclosed
US-4172068-A POLYOL, POLYISOCYANATE; ACETAL OR KETAL AS SOLVENT INTERNATIONAL MINERALS & CHEMICAL CORPORATION (US) 1979-10-23 US disclosed
US-4116916-A BINDER, PHENOL-FORMALDEHYDE RESIN, POLYISOCYANATE, SOLVENT INTERNATIONAL MINERALS & CHEMICAL CORP. (US) 1978-09-26 US disclosed
US-4051092-A CURABLE RESIN, POLYISOCYANATE INTERNATIONAL MINERALS & CHEMICAL CORPORATION (US) 1977-09-27 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 (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-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR ALDH1A1 4766/4885TSHR 3270/4885L3MBTL1 1721/4885
US-20090123425-A1 MACROCYCLIC, PYRIDAZINONE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 ALDH1A1 958/4885TSHR 4400/4885L3MBTL1 3766/4885
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H ALDH1A1 2912/4885TSHR 4832/4885L3MBTL1 2208/4885
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B ALDH1A1 1014/4885TSHR 797/4885L3MBTL1 3851/4885

“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.