Sugi Predict

Sugi Predict / Compounds / SCHEMBL2588081

SCHEMBL2588081

SCHEMBL2588081

CCCc1c[c]c(CC)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.38
▸ LIPG Q9Y5X9 2/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ MGLL Q99685 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ THRB P10828 2/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 2/20 0.30
▸ CTDSP1 Q9GZU7 2/20 0.30
▸ NISCH Q9Y2I1 1/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 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
SCHEMBL1404345 0.89 LPL (0.39) LPLLIPGCNR1CNR2CA2
SCHEMBL8780465 0.84 ESR1 (0.48) LPLLIPGMGLLKDM4EALDH1A1
SCHEMBL192917 0.84 TP53 (0.36) LPLLIPGCA2MGLLPLK1
SCHEMBL21268375 0.83 CA2 (0.37) LPLLIPGCNR1CNR2CA2
SCHEMBL21373792 0.83 TAAR1 (0.37) LPLLIPGCNR1CNR2CA2
SCHEMBL28223685 0.82 TP53 (0.35) LPLLIPGCA2TAAR1L3MBTL1
SCHEMBL27429375 0.78 HRH3 (0.37) CA2TAAR1
SCHEMBL28321619 0.77 TSHR (0.32) LPLLIPGTAAR1L3MBTL1
SCHEMBL1539433 0.77 CA2 (0.42) LPLLIPGCA2PLK1THRB
SCHEMBL191629 0.76 LPL (0.39) LPLLIPGCNR1CNR2CA2

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
WO-2019179773-A1 DIACETAL DERIVATIVES AND THEIR USE AS CLARIFIER CLARIANT INTERNATIONAL LTD (CH) 2019-09-26 — — WO disclosed
WO-2019179774-A1 POLYMER COMPOSITION COMPRISING DIACETAL DERIVATIVES CLARIANT INTERNATIONAL LTD (CH) 2019-09-26 — — WO disclosed
EP-3543286-A1 POLYMER COMPOSITION COMPRISING DIACETAL DERIVATIVES Clariant International Ltd (CH) 2019-09-25 — — EP disclosed
EP-3543244-A1 DIACETAL DERIVATIVES AND THEIR USE AS CLARIFIER Clariant International Ltd (CH) 2019-09-25 — — EP disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 — — EP disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 — — US disclosed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 — — EP disclosed
US-9604962-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-28 — — US disclosed
US-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 — — US disclosed
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 — — US disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 — — US disclosed
US-20100286147-A1 FUNGICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-11-11 — — US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 — — US disclosed
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 — — US disclosed
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 — — EP disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 — — US disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 — — WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 — — WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 — — EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 — — 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-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 LPL 4816/4885LIPG 4125/4885CNR1 851/4885
US-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 LPL 4675/4885LIPG 4655/4885CNR1 320/4885
US-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 LPL 4523/4885LIPG 3490/4885CNR1 278/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 LPL 2234/4885LIPG 2376/4885CNR1 657/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 LPL 4816/4885LIPG 4125/4885CNR1 851/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 LPL 4405/4885LIPG 3139/4885CNR1 709/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 LPL 4816/4885LIPG 4125/4885CNR1 851/4885

“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.