SCHEMBL4476639

SCHEMBL4476639

O=C(O)CCC(=O)OC(=O)CCCCCCC(=O)OC(=O)CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
LMNA P02545 4/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
EGLN1 Q9GZT9 2/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
SUCNR1 Q9BXA5 1/20 0.47
GPR84 Q9NQS5 7/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
PHF8 Q9UPP1 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
TLR2 O60603 2/20 0.44

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
SCHEMBL10456760 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22EGLN1
SCHEMBL28346537 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22EGLN1
SCHEMBL13732745 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22EGLN1
SCHEMBL100416 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22EGLN1
SCHEMBL27709413 0.97 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL20594222 0.97 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL14472237 0.97 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL429060 0.97 LMNA (0.53) TSHRLMNANFKB1PMP22EGLN1
Ammonia Solution, Strong SCHEMBL28812365 0.95 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84
Glutarate SCHEMBL28269346 0.95 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115701464-B Super-hydrophobic finishing agent and preparation method and application thereof 江苏金太阳纺织科技股份有限公司 2024-06-11 CN claimed
CN-115418148-A Organic reversible thermochromic exterior wall coating and preparation method thereof 中机铸材科技(福建)有限公司 2022-12-02 CN claimed
CN-113981713-A Method for dyeing real silk fabric by using natural dye 达利(中国)有限公司 2022-01-28 CN claimed
CN-117881401-A NLRP3 modulators 祖玛珍生物科学有限公司 2024-04-12 CN disclosed
CN-117858870-A Preparation of P2X3 antagonists 葛兰素史密斯克莱知识产权(第3号)有限公司 2024-04-09 CN disclosed
CN-117597345-A Heterocyclic derivatives as CaMKK2 inhibitors 百时美施贵宝公司 2024-02-23 CN disclosed
CN-113981713-B Method for dyeing real silk fabric by adopting natural dye 达利(中国)有限公司 2023-12-19 CN disclosed
CN-117241797-A Method for treating prostate cancer 百时美施贵宝公司 2023-12-15 CN disclosed
CN-111566089-B IRE1 small molecule inhibitors 康奈尔大学 2023-11-17 CN disclosed
CN-115605209-A NLRP3 modulators 祖玛珍生物科学有限公司(GB) 2023-01-13 CN disclosed
CN-115484958-A Combination of LSD-1 inhibitor and nivolumab for the treatment of SCLC or SQNSCLC 赛尔基因昆蒂赛尔研究公司 2022-12-16 CN disclosed
CN-1438996-A Bicyclic cyclohexylamines and their use NMDA receptor antogonists WARNER LAMBERT CO (US) 2003-08-27 CN disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
CN-1425008-A 3-aminoquinazolin-2, 4-dione antibacterial agents WARNER LAMBERT CO (US) 2003-06-18 CN disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed
US-5567767-A UNSATURATED POLYESTER, DI(METH) ACRYLATE OF ALKYLOXYLATED BISPHENOL A, AND VINYL TOLUENE ARISTECH CHEMICAL CORPORATION (US) 1996-10-22 US disclosed
EP-0359796-A1 THERMOSETTING COMPOSITION FROM MALEIMIDE, OLEFINIC MONOMER AND UNSATURATED POLYESTER. ARISTECH CHEMICAL CORP (US) 1990-03-28 EP disclosed
WO-1989008670-A1 THERMOSETTING COMPOSITION FROM MALEIMIDE, OLEFINIC MONOMER AND UNSATURATED POLYESTER ARISTECH CHEMICAL CORPORATION (US) 1989-09-21 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 TSHR 2363/4885LMNA 3614/4885NFKB1 985/4885

“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.