SCHEMBL517466

SCHEMBL517466

CCCC(=O)OCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
DGKA P23743 1/20 0.40
LMNA P02545 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C19 P33261 1/20 0.37
PAM P19021 2/20 0.36
FFAR3 O14843 3/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
DNM1 Q05193 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
SCHEMBL2485813 0.87 ADRA2A (0.42) ALDH1A1DGKALMNAHSD17B10CYP2C19
SCHEMBL3442511 0.86 DGKA (0.52) ALDH1A1DGKALMNACES2CES1
SCHEMBL3203892 0.86 ALDH1A1 (0.50) ALDH1A1DGKALMNACES2CES1
SCHEMBL8921697 0.86 ALDH1A1 (0.50) ALDH1A1DGKALMNACES2CES1
SCHEMBL245738 0.85 DGKA (0.61) ALDH1A1DGKALMNACES2CES1
SCHEMBL28532963 0.85 ALDH1A1 (0.44) ALDH1A1DGKALMNACES2CES1
SCHEMBL9323708 0.84 ALDH1A1 (0.48) ALDH1A1DGKALMNACES2CES1
SCHEMBL525482 0.83 ALDH1A1 (0.52) ALDH1A1DGKALMNACES2CES1
SCHEMBL28682094 0.83 TSHR (0.46) ALDH1A1DGKALMNAPAMCYP1A2
SCHEMBL852013 0.83 DGKA (0.46) ALDH1A1DGKALMNAPAMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN claimed
CN-109119598-B Non-aqueous electrolyte and secondary battery 微宏动力系统(湖州)有限公司 2021-09-21 CN claimed
CN-107666011-B Non-aqueous electrolyte and non-aqueous electrolyte secondary battery 微宏动力系统(湖州)有限公司 2020-07-28 CN claimed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN disclosed
CN-118742855-A Photocurable resin composition containing self-crosslinkable polymer 日产化学株式会社 2024-10-01 CN disclosed
US-20240228503-A1 TRIAZOLE-SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AS CGAS INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-07-11 US disclosed
CN-113871683-B Method for improving high-temperature performance of non-aqueous electrolyte battery 宁波梅山保税港区锂泰企业管理合伙企业(有限合伙) 2022-06-17 CN disclosed
CN-114614018-A Lithium ion battery negative electrode material, preparation method thereof and lithium ion secondary battery 宁波梅山保税港区锂泰企业管理合伙企业(有限合伙) 2022-06-10 CN disclosed
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
EP-2427186-B1 DIHYDROOROTATE-DEHYDROGENASEE INHIBITORS AS VIROSTATIC COMPOUNDS PANOPTES PHARMA GES M B H (AT) 2022-01-12 EP disclosed
CN-113871683-A Method for improving high-temperature performance of non-aqueous electrolyte battery 宁波行殊新能源科技有限公司 2021-12-31 CN disclosed
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2004-09-30 US disclosed
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2004-09-09 US disclosed
WO-2004056746-A1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 WO disclosed
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 EP disclosed
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 US disclosed
WO-2003006425-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 WO disclosed
WO-2003006424-A1 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 WO disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 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 (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-20240228503-A1 TRIAZOLE-SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AS CGAS INHIBITORS SSB, CGAS, STING1 ALDH1A1 3032/4885DGKA 3035/4885LMNA 1119/4885
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, GCDH ALDH1A1 231/4885DGKA 271/4885LMNA 4710/4885
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents MSR1, PPARG, PPARA ALDH1A1 1489/4885DGKA 1566/4885LMNA 4686/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA ALDH1A1 745/4885DGKA 822/4885LMNA 4647/4885

“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.