SCHEMBL2301722

SCHEMBL2301722

c1ccc(P(c2ccccc2)c2ccc3c(c2-c2cccc4c2CCCC4)CCCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.40
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CES1 P23141 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KCNK2 O95069 1/20 0.33
KCNK10 P57789 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNK18 Q7Z418 1/20 0.33
PARP1 P09874 1/20 0.33
PRCP P42785 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CXCR5 P32302 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL29424782 0.88 DRD1 (0.39) DRD1BCL2L1BADTSHRCES1
SCHEMBL29924184 0.88 DRD1 (0.39) DRD1BCL2L1BADTSHRCES1
SCHEMBL665033 0.88 DRD1 (0.39) DRD1BCL2L1BADTSHRCES1
SCHEMBL22471754 0.86 CES1 (0.35) DRD1BCL2L1BADCES1TDP1
Iodide SCHEMBL9231386 0.86 DRD1 (0.38) DRD1BCL2L1BADTSHRCES1
Iodide SCHEMBL9231383 0.86 DRD1 (0.38) DRD1BCL2L1BADTSHRCES1
SCHEMBL9192628 0.86 DRD1 (0.38) DRD1BCL2L1BADTSHRCES1
SCHEMBL14356045 0.84 DRD1 (0.39) DRD1BCL2L1BADTSHRCES1
SCHEMBL2914738 0.83 BCL2L1 (0.34) DRD1BCL2L1BADTSHRKDM4E
SCHEMBL30664383 0.83 BCL2L1 (0.34) DRD1BCL2L1BADTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217848-B Spiro-dihydrobenzothiole diphenol compound, synthesis method and application thereof 中国科学院上海有机化学研究所 2021-11-02 CN claimed
CN-111484437-A Method for introducing tertiary isopentenyl group to C3 position of indole 中国科学院大连化学物理研究所 2020-08-04 CN claimed
CN-111484436-A Method for introducing isopentenyl group to C3 position of indole 中国科学院大连化学物理研究所 2020-08-04 CN claimed
CN-111217848-A Spiro-dihydrobenzothiole diphenol compound, synthesis method and application thereof 中国科学院上海有机化学研究所 2020-06-02 CN claimed
CN-111171068-A Preparation method of silicon spiro-compound 中国科学院上海有机化学研究所 2020-05-19 CN claimed
CN-113735669-B Method for constructing alpha-acyllactam quaternary carbon chiral center compound by nickel-catalyzed asymmetric allyl alkylation and compound 四川大学 2022-06-14 CN disclosed
CN-111484436-B Method for introducing isopentene group into C3 position of indole 中国科学院大连化学物理研究所 2022-06-07 CN disclosed
CN-111484437-B Method for introducing tertiary isopentenyl group to C3 position of indole 中国科学院大连化学物理研究所 2022-06-07 CN disclosed
CN-114423844-A Photoresponsive coordination compound with photocontrol electron transport and conduction characteristics and manufacture of organic electronic device and organic resistance memory device with photoconversion performance 香港大学 2022-04-29 CN disclosed
CN-111171068-B Preparation method of silicon spiro-compound 中国科学院上海有机化学研究所 2021-12-14 CN disclosed
CN-113735669-A Method for constructing alpha-acyllactam quaternary carbon chiral center compound by nickel-catalyzed asymmetric allyl alkylation and compound 四川大学 2021-12-03 CN disclosed
CN-113321669-A Sulfimide metal salt, preparation method and application thereof 中国科学院上海有机化学研究所 2021-08-31 CN disclosed
EP-2536733-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2012-12-26 EP disclosed
WO-2012110599-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 WO disclosed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO disclosed
US-7351849-B2 Process for producing optically active β-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-01 US disclosed
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 US disclosed
EP-0855390-A1 A process for producing optically active pyrrolidine derivatives Takasago International Corporation (JP) 1998-07-29 EP disclosed
EP-0839819-A1 Method of preparing optically active diphosphine ligands Takasago International Corporation (JP) 1998-05-06 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-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP DRD1 738/4885BCL2L1 327/4885BAD 3250/4885

“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.