SCHEMBL2957097

SCHEMBL2957097

CCC(CC)CCCOC(=O)CC(=O)OCCCC(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ATM Q13315 2/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
FAAH O00519 2/20 0.42
NAAA Q02083 1/20 0.41
CA2 P00918 4/20 0.38
CA1 P00915 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
DGKA P23743 1/20 0.36

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
SCHEMBL30166467 0.88 NAAA (0.55) TSHRATMCYP3A4TDP1GAA
SCHEMBL2967819 0.87 MGAM (0.48) TSHRATMCYP3A4TDP1MGAM
SCHEMBL9455337 0.84 CYP3A4 (0.61) TSHRATMCYP3A4TDP1NAAA
SCHEMBL15912549 0.84 TSHR (0.43) TSHRATMCYP3A4TDP1NAAA
SCHEMBL23926224 0.82 MGAM (0.43) MGAMGAASIMGAM2FAAH
SCHEMBL4740300 0.82 NAAA (0.59) TSHRATMCYP3A4TDP1FAAH
SCHEMBL9106224 0.81 ALDH1A1 (0.58) TSHRATMCYP3A4TDP1GAA
SCHEMBL11809721 0.80 TSHR (0.47) TSHRATMCYP3A4TDP1NAAA
SCHEMBL6243663 0.80 DGKA (0.67) TSHRATMCYP3A4TDP1NAAA
SCHEMBL18953068 0.79 TSHR (0.59) TSHRATMCYP3A4TDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109470308-B Remote sensing device for monitoring ocean vortex parameters 浙江海洋大学 2021-03-16 CN disclosed
US-10357590-B2 Bioresorbable ceramic composition for forming a three dimensional scaffold DePuy Synthes Products, Inc. (US) 2019-07-23 US disclosed
EP-3252861-B1 NON-AQUEOUS ELECTROLYTE SOLUTION, AND NON-AQUEOUS-ELECTROLYTE SECONDARY CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-06-26 EP disclosed
US-20170360985-A9 BIORESORBABLE CERAMIC COMPOSITION FOR FORMING A THREE DIMENSIONAL SCAFFOLD DEPUY SYNTHES PRODUCTS INC (US) 2017-12-21 US disclosed
EP-3252861-A1 NON-AQUEOUS ELECTROLYTE SOLUTION, AND NON-AQUEOUS-ELECTROLYTE SECONDARY CELL USING SAME Mitsubishi Chemical Corporation (JP) 2017-12-06 EP disclosed
US-20170340770-A1 HYDRAULIC CEMENT-BASED IMPLANT MATERIAL AND USE THEREOF INNOTERE GMBH (DE) 2017-11-30 US disclosed
US-20170324116-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SOLUTION SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-11-09 US disclosed
US-9764057-B2 Hydraulic cement-based implant material and use thereof INNOTERE GMBH (DE) 2017-09-19 US disclosed
US-20170049922-A1 BIORESORBABLE CERAMIC COMPOSITION FOR FORMING A THREE DIMENSIONAL SCAFFOLD DEPUY SYNTHES PRODUCTS INC (US) 2017-02-23 US disclosed
EP-2892574-A1 BIORESORBABLE CERAMIC COMPOSITION FOR FORMING A THREE DIMENSIONAL SCAFFOLD Synthes GmbH (CH) 2015-07-15 EP disclosed
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents KOHNO YASUSHI 2009-06-18 US disclosed
US-7482491-B2 Amino alcohol derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
EP-1548003-A1 AMINO ALCOHOL DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT Kyorin Pharmaceutical Co., Ltd. (JP) 2005-06-29 EP disclosed
EP-0912617-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2003-04-16 EP disclosed
US-6313238-B1 POLYMERIZATION OF ALPHA-OLEFINS IN PRESENCE OF POLYMERIZATION CATALYST SYSTEM COMPRISING REACTION PRODUCT OF TITANIUM COMPOUND, AND ELECTRON DONOR COMPRISING MALONIC ESTER SUPPORTED ON MAGNESIUM HALIDE, ALKYLALUMINUM COMPOUND BASELL TECHNOLOGY COMPANY BV (NL) 2001-11-06 US disclosed
US-6048818-A Components and catalysts for the polymerization of olefins MONTELL TECHNOLOGY COMPANY BV (NL) 2000-04-11 US disclosed
EP-0912617-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1999-05-06 EP disclosed
WO-1998056833-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-12-17 WO disclosed
EP-0294228-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP 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 (3 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-20170324116-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SOLUTION SECONDARY BATTERY USING THE SAME KCNN2, KCNE1, KCNN1 TSHR 3439/4885ATM 2060/4885CYP3A4 1723/4885
US-20060135622-A1 Amino alcohol derivative, addition salt thereof, and immunosuppressant AADAT, BCAT2, ADH1A TSHR 3897/4885ATM 1159/4885CYP3A4 219/4885
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents ADH1A, TPMT, AADAT TSHR 3440/4885ATM 1721/4885CYP3A4 205/4885

“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.