SCHEMBL8791995

SCHEMBL8791995

O=C1CC=Cc2ccc3ccccc3c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.54
PAX8 Q06710 1/20 0.42
DNMT1 P26358 1/20 0.41
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 1/20 0.38
WDR5 P61964 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL29457692 0.92 ALDH1A1 (0.49) CES1PAX8DNMT1ALDH1A1TDP1
SCHEMBL261907 0.85 CES1 (0.39) CES1PAX8ALDH1A1HSD17B10HPGD
SCHEMBL1674893 0.79 TDP1 (0.43) CES1PAX8ALDH1A1TDP1TSHR
SCHEMBL29636355 0.79 CES1 (0.46) CES1PAX8DNMT1ALDH1A1TDP1
SCHEMBL604336 0.77 ALDH1A1 (0.41) CES1ALDH1A1HPGDLMNAMEN1
SCHEMBL457599 0.75 TYMS (0.37) CES1PAX8ALDH1A1TDP1HPGD
SCHEMBL16538009 0.73 MAOA (0.43) ALDH1A1TDP1TSHRHSD17B10HPGD
SCHEMBL28545539 0.73 NQO1 (0.50) CES1ALDH1A1TDP1HSD17B10HPGD
SCHEMBL29823475 0.73 NQO1 (0.50) CES1ALDH1A1TDP1HSD17B10HPGD
SCHEMBL5716919 0.73 CES1 (0.79) CES1PAX8DNMT1ALDH1A1TDP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344761-A Long-acting antibacterial composition for hard surface and application and use method thereof 上海和黄白猫有限公司 2024-07-16 CN claimed
CN-119452045-A Method for producing carbon black with reduced content of oxygen-containing polycyclic aromatic hydrocarbon (oxygen-containing PAH) by supercritical fluid extraction 欧励隆工程炭知识产权有限两合公司 2025-02-14 CN disclosed
CN-119371422-A Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2025-01-28 CN disclosed
CN-114269744-B Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2024-10-18 CN disclosed
CN-118344761-A Long-acting antibacterial composition for hard surface and application and use method thereof 上海和黄白猫有限公司 2024-07-16 CN disclosed
CN-118344761-A Long-acting antibacterial composition for hard surface and application and use method thereof 上海和黄白猫有限公司 2024-07-16 CN disclosed
WO-2023143400-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 珂阑(上海)医药科技有限公司 2023-08-03 WO disclosed
CN-109152358-B Photosensitizer dispersions and uses thereof 特里奥普托泰克有限公司 2023-07-07 CN disclosed
CN-115836045-A Composition for forming photoresist, method for forming resist pattern, and method for forming circuit pattern 三菱瓦斯化学株式会社 2023-03-21 CN disclosed
CN-114303096-A Film-forming composition for lithography, resist pattern formation method, circuit pattern formation method, and purification method 三菱瓦斯化学株式会社 2022-04-08 CN disclosed
CN-114269744-A Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2022-04-01 CN disclosed
CN-110799598-B Light-colored rosin ester composition and preparation method thereof 科腾聚合物有限责任公司 2022-03-29 CN disclosed
US-20210309595-A1 COMPOSITION FOR FORMING OPTICAL COMPONENT, OPTICAL COMPONENT, COMPOUND, AND RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-10-07 US disclosed
EP-3831882-A1 OPTICAL COMPONENT-FORMING COMPOSITION, OPTICAL COMPONENT, COMPOUND, AND RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-09 EP disclosed
WO-2020027206-A1 OPTICAL COMPONENT-FORMING COMPOSITION, OPTICAL COMPONENT, COMPOUND, AND RESIN 三菱瓦斯化学株式会社 2020-02-06 WO disclosed
EP-0764162-A1 CYCLOBUT-3-ENE-1,2-DIONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-26 EP disclosed
US-5500442-A Cyclobut-3-ene-1,2-dione derivatives as smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1996-03-19 US disclosed
WO-1995034556-A1 CYCLOBUT-3-ENE-1,2-DIONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-12-21 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-20210309595-A1 COMPOSITION FOR FORMING OPTICAL COMPONENT, OPTICAL COMPONENT, COMPOUND, AND RESIN DCXR, MLX, TXN CES1 4495/4885PAX8 1986/4885DNMT1 3057/4885

“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.