SCHEMBL44008

SCHEMBL44008

O=C1[C@H]2CCCC[C@H]2C(=O)N1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ENO1 P06733 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
STAT3 P40763 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL486926 1.00 POLB (0.41) POLBALDH1A1TDP1HTTGAA
SCHEMBL18072219 1.00 POLB (0.41) POLBALDH1A1TDP1HTTGAA
Hydrochloric Acid SCHEMBL5234099 0.97 POLB (0.40) POLBALDH1A1TDP1HTTGAA
Phosphoric Acid SCHEMBL5332637 0.91 ENO1 (0.42) POLBALDH1A1TDP1HTTGAA
Maleic Acid SCHEMBL5334783 0.85 HTT (0.40) POLBALDH1A1HTTGAAHPGD
Fumaric Acid SCHEMBL5334788 0.85 HTT (0.40) POLBALDH1A1HTTGAAHPGD
Cadaverine Tartrate SCHEMBL5328579 0.83 TSHR (0.39) POLBALDH1A1HTTGAAHPGD
SCHEMBL1260990 0.80 POLB (0.37) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL31289551 0.80 ALDH1A1 (0.39) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL3678309 0.78 ALDH1A1 (0.39) POLBALDH1A1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805042-A Method and system for preparing cyclopentanone and application thereof 中国石油化工股份有限公司 2022-07-29 CN claimed
CN-114805043-A Preparation method and system of cyclopentanone 中国石油化工股份有限公司 2022-07-29 CN claimed
US-20250059191-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2025-02-20 US disclosed
US-12221443-B2 Crystalline forms of diazabicyclooctane derivative and production process thereof MEIJI SEIKA PHARMA CO., LTD. (JP) 2025-02-11 US disclosed
US-20220348578-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2022-11-03 US disclosed
US-11414417-B2 Crystalline forms of diazabicyclooctane derivative and production process thereof MEIJI SEIKA PHARMA CO., LTD. (JP) 2022-08-16 US disclosed
CN-114805042-A Method and system for preparing cyclopentanone and application thereof 中国石油化工股份有限公司 2022-07-29 CN disclosed
CN-114805043-A Preparation method and system of cyclopentanone 中国石油化工股份有限公司 2022-07-29 CN disclosed
CN-114057620-A Method and system for preparing hydrogen peroxide cyclopentylbenzene by cyclopentene 中国石油化工股份有限公司 2022-02-18 CN disclosed
US-11213804-B2 Dehydrogenation catalysts and methods of making and using the same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-01-04 US disclosed
CN-113698332-A Method for preparing hydrogen peroxide cyclopentylbenzene from cyclopentylbenzene 中国石油化工股份有限公司 2021-11-26 CN disclosed
US-6720462-B2 VIA CATALYTIC OXIDATION OF AROMATIC HYDROCARBON TO HYDROPEROXIDE WHICH IS CLEAVED TO FORM PHENOL DERVIVATIVE AND KETONE DEGUSSA AG (DE) 2004-04-13 US disclosed
US-20030176733-A1 Method for oxidizing hydrocarbons CREAVIS GESELLSCHAFT FUER TECHNOLOGIE UND INNOVATION MBH (DE) 2003-09-18 US disclosed
US-20030083527-A1 Method for producing aromatic alcohols, especially phenol CREAVIS GESELLSCHAFT FUER TECHNOLOGY UND INNOVATION MBH (DE) 2003-05-01 US disclosed
US-6316639-B1 REACTING DICARBOXYLIC ACIDS OR ANHYDRIDES WITH A SALT OF HYDROXYL-AMINE IN SOLUTION SELECTED FROM HYDROXYLAMINE SULFATE, HYDROXYLAMINE NITRATE, HYDROXYLAMINE ACETATE, HYDROXYLAMINE TETRAFLUOROBORATE, HYDROXYLAMINE PHOSPHATE Consortium für elektrochemische Industrie GmbH (DE) 2001-11-13 US disclosed
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US disclosed
US-6187170-B1 SYSTEM FOR THE ELECTROCHEMICAL CLEAVAGE OF COMPOUNDS WHICH INCLUDES A MEDIATOR AND AT LEAST TWO ELECTRODES FOR THE ELECTROCHEMICAL ACTIVATION OF THE MEDIATOR Consortium für elektrochemische Industrie GmbH (DE) 2001-02-13 US disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US 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 (7 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-20220348578-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF CCNA1, RCC1, DDT POLB 1156/4885ALDH1A1 1981/4885TDP1 914/4885
US-20250059191-A1 CRYSTALLINE FORMS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION PROCESS THEREOF CCNA1, RCC1, DDT POLB 1156/4885ALDH1A1 1981/4885TDP1 914/4885
US-20030176733-A1 Method for oxidizing hydrocarbons CBR1, CBR3, SCO2 POLB 830/4885ALDH1A1 891/4885TDP1 3717/4885
US-11213804-B2 Dehydrogenation catalysts and methods of making and using the same IDH2, ADH4, IDH1 POLB 858/4885ALDH1A1 245/4885TDP1 2517/4885
US-12221443-B2 Crystalline forms of diazabicyclooctane derivative and production process thereof CCNA1, RCC1, DDT POLB 1156/4885ALDH1A1 1981/4885TDP1 914/4885
US-20030083527-A1 Method for producing aromatic alcohols, especially phenol CYP2E1, AOC2, ADH1C POLB 619/4885ALDH1A1 330/4885TDP1 3114/4885
US-11414417-B2 Crystalline forms of diazabicyclooctane derivative and production process thereof CCNA1, RCC1, DDT POLB 1156/4885ALDH1A1 1981/4885TDP1 914/4885

“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.