SCHEMBL5503276

SCHEMBL5503276

CC(C)CCOC(=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP19A1 P11511 1/20 0.44
MAPK1 P28482 2/20 0.40
PPARG P37231 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 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
Hydrazine SCHEMBL5097732 0.96 CYP19A1 (0.42) CA1CA12CA2CA9CYP19A1
SCHEMBL4406722 0.87 CA1 (0.50) CA1CA12CA2CA9CYP19A1
SCHEMBL5316852 0.86 BLM (0.41) CA1CA12CA2CA9CYP19A1
SCHEMBL27707944 0.84 CYP19A1 (0.36) CYP19A1ALDH1A1ACHECHRNB2CHRNA4
SCHEMBL16047302 0.83 CA1 (0.46) CA1CA12CA2CA9CYP19A1
SCHEMBL6322048 0.83 RARB (0.41) CYP19A1ALDH1A1TDP1ACHELMNA
SCHEMBL5472684 0.83 RARB (0.41) CYP19A1ALDH1A1TDP1ACHELMNA
SCHEMBL28508202 0.83 RARB (0.41) CYP19A1ALDH1A1TDP1ACHELMNA
SCHEMBL30423398 0.83 RARB (0.41) CYP19A1ALDH1A1TDP1ACHELMNA
SCHEMBL30424069 0.83 RARB (0.41) CYP19A1ALDH1A1TDP1ACHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444466-B Banana aroma compound, preparation method thereof and banana essence 万普森香料(深圳)有限公司 2025-02-14 CN claimed
CN-117821135-A Multi-effect diesel oil detergent meeting cleaning performance requirement of direct injection diesel engine and preparation method thereof 中国石油天然气股份有限公司 2024-04-05 CN claimed
CN-116478744-A Multi-effect complexing agent suitable for ethanol diesel 中国石油天然气股份有限公司 2023-07-25 CN claimed
CN-116444466-A Banana aroma compound, preparation method thereof and banana essence 深圳市华加生物科技有限公司 2023-07-18 CN claimed
CN-116444466-B Banana aroma compound, preparation method thereof and banana essence 万普森香料(深圳)有限公司 2025-02-14 CN disclosed
CN-116444466-B Banana aroma compound, preparation method thereof and banana essence 万普森香料(深圳)有限公司 2025-02-14 CN disclosed
CN-117821135-A Multi-effect diesel oil detergent meeting cleaning performance requirement of direct injection diesel engine and preparation method thereof 中国石油天然气股份有限公司 2024-04-05 CN disclosed
CN-116478744-A Multi-effect complexing agent suitable for ethanol diesel 中国石油天然气股份有限公司 2023-07-25 CN disclosed
CN-116444466-A Banana aroma compound, preparation method thereof and banana essence 深圳市华加生物科技有限公司 2023-07-18 CN disclosed
CN-116444466-A Banana aroma compound, preparation method thereof and banana essence 深圳市华加生物科技有限公司 2023-07-18 CN disclosed
CN-112240239-A Compression ignition internal combustion engine using reactive agent 周氏(北京)汽车技术有限公司 2021-01-19 CN disclosed
CN-109310601-A Spices material 高砂香料工业株式会社 2019-02-05 CN disclosed
US-20180043279-A1 SEPARATION SYSTEMS AND METHODS OF USING THEM QUINLAN GEORGE L (US) 2018-02-15 US disclosed
US-9604153-B1 Separation systems and methods of using them Quinlan Properties, LLC (US) 2017-03-28 US disclosed
EP-1221439-B1 TETRAHYDROQUINOLINE DERIVATIVES KAKEN PHARMA CO LTD (JP) 2007-01-03 EP disclosed
US-7037919-B1 Tetrahydroquinoline derivatives KAKEN PHARMACEUTICAL CO. LTD. (JP) 2006-05-02 US disclosed
US-6777427-B2 SPECIFIC AND STRONG BINDING AFFINITY FOR ANDROGEN RECEPTORS AND EXHIBIT ANDROGEN RECEPTOR AGONISM OR ANTAGONISM KAKEN PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20030216428-A1 Tetrahydroquinoline compounds KAKEN PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US disclosed
EP-1325914-A1 TETRAHYDROQUINOLINE COMPOUNDS Kaken Pharmaceutical Co., Ltd. (JP) 2003-07-09 EP disclosed
EP-1221439-A1 TETRAHYDROQUINOLINE DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2002-07-10 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 (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-20030216428-A1 Tetrahydroquinoline compounds AR, MUSK, NR5A1 CA1 4619/4885CA12 4854/4885CA2 3072/4885

“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.