Sugi Predict

Sugi Predict / Compounds / SCHEMBL821391

SCHEMBL821391

SCHEMBL821391

CCCCCCCCCCCCC(C(=O)OCC)(C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ THRB P10828 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CES2 O00748 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ FAAH O00519 2/20 0.33
▸ SMPD1 P17405 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ DGKA P23743 1/20 0.33
▸ GGPS1 O95749 1/20 0.33

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
Acetic Acid SCHEMBL560522 0.96 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL168910 0.96 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL3191369 0.96 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL7220949 0.96 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL18104018 0.96 MEN1 (0.48) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL18104054 0.94 MEN1 (0.47) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL5227791 0.91 MEN1 (0.47) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL2364816 0.91 MEN1 (0.46) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL739576 0.87 MEN1 (0.46) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL7691355 0.86 MEN1 (0.47) MEN1KMT2AMAPTATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801166-B Tetradentate metal complex and application thereof 广东阿格蕾雅光电材料有限公司 2023-04-07 — — CN disclosed
CN-115720578-A Tricyclic derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-02-28 — — CN disclosed
WO-2022262309-A1 ORGANOMETALLIC IRIDIUM COMPOUND AND APPLICATION THEREOF 广东阿格蕾雅光电材料有限公司 2022-12-22 — — WO disclosed
CN-115490734-A Organic metal iridium compound and application thereof 广东阿格蕾雅光电材料有限公司 2022-12-20 — — CN disclosed
US-20220185826-A1 Tandem Carbene Phosphors THE UNIVERSITY OF SOUTHERN CALIFORNIA 2022-06-16 — — US disclosed
US-20220181562-A1 Tandem-Carbene Phosphors THE UNIVERSITY OF SOUTHERN CALIFORNIA 2022-06-09 — — US disclosed
CN-114502695-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 日产化学株式会社 2022-05-13 — — CN disclosed
WO-2021254026-A1 TETRADENTATE METAL COMPLEX AND USE THEREOF 广东阿格蕾雅光电材料有限公司 2021-12-23 — — WO disclosed
US-10840461-B2 Organic electroluminescent element material, organic electroluminescent element and production method for organic electroluminescent element UDC IRELAND LIMITED (IE) 2020-11-17 — — US disclosed
CN-107098843-B FK409 NO donor type statin blood fat reducing drug derivative and preparation method thereof 中国医药集团总公司四川抗菌素工业研究所 2020-04-28 — — CN disclosed
EP-1241167-A1 3-ETHYL-, 3-PROPYL- OR 3-BUTYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 — — EP disclosed
EP-1241165-A1 OPTICALLY ACTIVE CHROMAN AND THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 — — EP disclosed
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 — — US disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 — — EP disclosed
EP-1145718-A1 DICARBA-closo-DODECABORANE DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2001-10-17 — — EP disclosed
CN-1289319-A Diterpene derivatives and anti-inflammatory analgesic agents comprising the same SAE HAN PHARM CO LTD (KR) 2001-03-28 — — CN disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 — — EP disclosed
EP-1056710-A1 DITERPENE DERIVATIVES AND ANTI-INFLAMMATORY ANALGESIC AGENTS COMPRISING THE SAME Sae Han Pharm. Co., Ltd. (KR) 2000-12-06 — — EP disclosed
WO-1999037600-A1 DITERPENE DERIVATIVES AND ANTI-INFLAMMATORY ANALGESIC AGENTS COMPRISING THE SAME SAE HAN PHARM. CO., LTD. (KR) 1999-07-29 — — WO disclosed
WO-1996000219-A1 PYRIMIDINYL- AND TRIAZINYL-OXY AND THIO-3-HALOALKYL-PROPIONIC ACID DERIVATIVES AS HERBICIDES CIBA-GEIGY AG (CH) 1996-01-04 — — 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 (2 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-20220185826-A1 Tandem Carbene Phosphors OCIAD1, CCND2, OCIAD2 MEN1 3215/4885KMT2A 3845/4885MAPT 1407/4885
US-20220181562-A1 Tandem-Carbene Phosphors OCIAD2, OCIAD1, DUOX2 MEN1 4431/4885KMT2A 2843/4885MAPT 1380/4885

“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.