Sugi Predict

Sugi Predict / Compounds / SCHEMBL3685300

SCHEMBL3685300

SCHEMBL3685300

CCC(C)CCC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.52
▸ SLC1A1 P43005 1/20 0.43
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CA12 O43570 3/20 0.39
▸ CA14 Q9ULX7 3/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ CA1 P00915 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
SCHEMBL12951352 1.00 TSHR (0.52) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL31509153 0.92 TSHR (0.46) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL14956983 0.87 TSHR (0.56) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL27932299 0.85 TSHR (0.54) TSHRKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL12086462 0.85 TSHR (0.54) TSHRKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL13880228 0.84 TSHR (0.50) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL1739665 0.84 ALDH1A1 (0.50) TSHRKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL6829456 0.84 L3MBTL1 (0.53) TSHRKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL891693 0.84 L3MBTL1 (0.53) TSHRKMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL2499676 0.84 L3MBTL1 (0.53) TSHRKMT2ALMNAL3MBTL1ALDH1A1

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-105622410-A Fluorenyl group and carboxylic acid ester combined compound and application thereof CHINA PETROLEUM & CHEM CORP 2016-06-01 — — CN claimed
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 — — CN claimed
US-20240244954-A1 QUANTUM DOT LIGAND, QUANTUM DOT-LIGAND SYSTEM AND QUANTUM DOT MATERIAL Beijing Boe Technology Development Co., Ltd. (CN) 2024-07-18 — — US disclosed
US-20230150989-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-05-18 — — US disclosed
US-9981903-B2 Method for preparing di- or tricarboxylic esters by alkoxycarbonylation of dienes having conjugated double bonds EVONIK DEGUSSA GMBH (DE) 2018-05-29 — — US disclosed
US-9925528-B2 Catalyst-controlled aliphatic C—H oxidations THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-27 — — US disclosed
US-20180022687-A1 METHOD FOR PREPARING DI- OR TRICARBOXYLIC ESTERS BY ALKOXYCARBONYLATION OF DIENES HAVING CONJUGATED DOUBLE BONDS EVONIK DEGUSSA GMBH (DE) 2018-01-25 — — US disclosed
CN-106687504-A Main chain type polyamines 建新公司 2017-05-17 — — CN disclosed
US-20160214097-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-28 — — US disclosed
CN-105622410-A Fluorenyl group and carboxylic acid ester combined compound and application thereof CHINA PETROLEUM & CHEM CORP 2016-06-01 — — CN disclosed
CN-105622797-A Solid catalyst component used for olefin polymerization and catalyst used for olefin polymerization and application CHINA PETROLEUM & CHEM CORP 2016-06-01 — — CN disclosed
CN-102245219-A Medical adhesive for surgical operation BAYER MATERIALSCIENCE AG 2011-11-16 — — CN disclosed
EP-1527038-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INT UK LTD (GB) 2010-03-17 — — EP disclosed
CN-100462351-C Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2009-02-18 — — CN disclosed
CN-1301955-C Process for the carbonylation of ethylenically unsaturated compouds LUCITE INT UK LTD (GB) 2007-02-28 — — CN disclosed
CN-1856301-A Curable beta-amino acid WARNER LAMBERT CO (US) 2006-11-01 — — CN disclosed
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 — — CN disclosed
CN-1675160-A Process for the carbonylation of ethylenically unsaturated compouds LUCITE INT UK LTD (GB) 2005-09-28 — — CN disclosed
CN-1653036-A Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2005-08-10 — — CN disclosed
US-4278665-A Papulacandin derivatives and pharmaceutical compositions containing same CIBA-GEIGY CORPORATION (US) 1981-07-14 — — 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-20180022687-A1 METHOD FOR PREPARING DI- OR TRICARBOXYLIC ESTERS BY ALKOXYCARBONYLATION OF DIENES HAVING CONJUGATED DOUBLE BONDS C9, PC, CBR3 TSHR 295/4885SLC1A1 3345/4885KMT2A 2960/4885
US-20240244954-A1 QUANTUM DOT LIGAND, QUANTUM DOT-LIGAND SYSTEM AND QUANTUM DOT MATERIAL CDYL, CD2, CDYL2 TSHR 1287/4885SLC1A1 3264/4885KMT2A 2009/4885
US-20230150989-A1 HERBICIDAL MALONAMIDES DDT, DHRS9, CA9 TSHR 1855/4885SLC1A1 1194/4885KMT2A 1533/4885
US-20160214097-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS HMOX1, SOD3, CYC1 TSHR 3813/4885SLC1A1 2966/4885KMT2A 2900/4885

“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.