SCHEMBL2773223

SCHEMBL2773223

O=C(O)/C=C/C1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
POLB P06746 2/20 0.34
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL533890 1.00 TSHR (0.35) TSHRTP53EGLN1EGLN3POLB
SCHEMBL6508724 0.92 POLB (0.31) POLB
SCHEMBL3452538 0.87 POLB (0.32) TSHRTP53EGLN1EGLN3POLB
SCHEMBL3452535 0.87 POLB (0.32) TSHRTP53EGLN1EGLN3POLB
SCHEMBL892513 0.83 TSHR (0.44) TSHRTP53EGLN1EGLN3POLB
SCHEMBL1398495 0.83
SCHEMBL8922960 0.83 TSHR (0.44) TSHRTP53EGLN1EGLN3POLB
SCHEMBL6678007 0.83
SCHEMBL821436 0.83
SCHEMBL892514 0.83 TSHR (0.44) TSHRTP53EGLN1EGLN3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206514-A Reaction method for preparing olefin by deacylation of visible light induced ketone 国科大杭州高等研究院 2024-06-18 CN disclosed
EP-3601284-B1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-12-27 EP disclosed
US-11485725-B2 Derivatives of piperlongumine and uses thereof AURANSA INC. (US) 2022-11-01 US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 US disclosed
EP-3601284-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
EP-1761491-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-03-14 EP disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 WO disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO disclosed
WO-2005058881-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2005-06-30 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 (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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO TSHR 3596/4885TP53 1020/4885EGLN1 411/4885
US-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 TSHR 4663/4885TP53 1536/4885EGLN1 1246/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 TSHR 4663/4885TP53 1536/4885EGLN1 1246/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 TSHR 4410/4885TP53 148/4885EGLN1 140/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 TSHR 1875/4885TP53 3861/4885EGLN1 3259/4885
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 TSHR 575/4885TP53 4529/4885EGLN1 1906/4885
US-11485725-B2 Derivatives of piperlongumine and uses thereof PIR, THPO, DHPS TSHR 4431/4885TP53 172/4885EGLN1 150/4885

“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.