SCHEMBL1574869

SCHEMBL1574869

O=P(c1ccccc1-c1ccccc1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.38
HRH1 P35367 1/20 0.36
HTT P42858 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 3/20 0.33
PTPN5 P54829 2/20 0.33
ALOX12 P18054 2/20 0.33
PTPN2 P17706 1/20 0.33
PKM P14618 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
SCHEMBL22633981 0.87 PTGS2 (0.38) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL22634002 0.84 KIF11 (0.39) ALDH1A1PTGS2CYP3A4CYP2C19PTPN5
SCHEMBL28428404 0.82 CHRM3 (0.37) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL7572691 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL28431550 0.78 FABP4 (0.39) ALDH1A1CYP3A4PTPN5PTPN2
SCHEMBL30219864 0.76 HTR6 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29559258 0.76 HPGD (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3238343 0.76 MEN1 (0.42) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL22156237 0.75 MAPT (0.37) ALDH1A1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL18486592 0.75 NPC1 (0.46) MEN1KMT2ASMN1; SMN2LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111212843-A Boronic acid derivatives and synthesis thereof QPEX生物制药有限公司 2020-05-29 CN claimed
CN-111417627-B Hydrogenation of Imines Using RU Complexes 弗门尼舍有限公司 2024-07-12 CN disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
CN-115260057-B Improved method for preparing functionalized cis-trans dicyanoethylene compound through desulfurization of 2, 5-dinitrothiophene 中国科学院大学 2023-07-25 CN disclosed
CN-111406059-B Europium complexes 东曹株式会社 2023-04-18 CN disclosed
US-10988494-B2 Europium complex TOSOH CORPORATION (JP) 2021-04-27 US disclosed
US-20200354389-A1 EUROPIUM COMPLEX SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2020-11-12 US disclosed
CN-111406059-A Europium complexes 东曹株式会社 2020-07-10 CN disclosed
CN-111212843-A Boronic acid derivatives and synthesis thereof QPEX生物制药有限公司 2020-05-29 CN disclosed
CN-106103441-B Spiro-compound, luminescent material and organic electroluminescence device with azepine fluorenes ring structure 保土谷化学工业株式会社 2019-03-26 CN disclosed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
WO-2005113551-A1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 US disclosed
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBOTT LABORATORIES 2005-11-17 US disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 EP disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO disclosed
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-05-13 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-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use CHRNA1, CHRM1, GALR1 ALDH1A1 1267/4885MEN1 2511/4885KMT2A 2287/4885
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents HRH3, HRH4, HRH2 ALDH1A1 2284/4885MEN1 1142/4885KMT2A 523/4885
US-10988494-B2 Europium complex SSB, XPA, UACA ALDH1A1 3892/4885MEN1 2354/4885KMT2A 3564/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 ALDH1A1 3121/4885MEN1 1776/4885KMT2A 785/4885
US-20200354389-A1 EUROPIUM COMPLEX SSB, XPA, UACA ALDH1A1 3892/4885MEN1 2354/4885KMT2A 3564/4885
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ALDH1A1 698/4885MEN1 919/4885KMT2A 1805/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ALDH1A1 687/4885MEN1 711/4885KMT2A 1877/4885

“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.