SCHEMBL1445840

SCHEMBL1445840

CN(C)CCOc1ccc(Cc2nccc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.59
PTPN1 P18031 2/20 0.49
HTR1B P28222 2/20 0.49
HRH3 Q9Y5N1 3/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
TNKS O95271 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
PDE10A Q9Y233 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL1445886 0.85 PDE3B (0.47) LTA4HPDE3BPDE3APDE10ACYP1A2
SCHEMBL1448052 0.84 PDE10A (0.50) LTA4HPDE3BPDE3APDE10AKDM4E
SCHEMBL1445692 0.83 LTA4H (0.56) LTA4HHTR1BPDE3BPDE3APDE10A
SCHEMBL1445826 0.83 PDE3A (0.45) LTA4HPDE3BPDE3APDE10AKDM4E
SCHEMBL27534581 0.82 LTA4H (0.46) LTA4HPDE3BPDE3APDE10ACYP1A2
SCHEMBL1445428 0.82 LTA4H (0.59) LTA4HPDE3BPDE3APDE10AACHE
SCHEMBL1445832 0.82 PDE3B (0.44) LTA4HPDE3BPDE3APDE10AALDH1A1
SCHEMBL12402283 0.81 ALDH1A1 (0.43) HRH3TNKSPDE3BPDE3APDE10A
SCHEMBL1445588 0.81 PDE10A (0.66) LTA4HPDE3BPDE3APDE10AKDM4E
Water SCHEMBL28228890 0.80 PDE10A (0.64) LTA4HPDE3BPDE3APDE10AKDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038239-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2004-02-26 US claimed
EP-1300464-A1 FUNGAL CELL WALL SYNTHESIS GENE Eisai Co., Ltd. (JP) 2003-04-09 EP claimed
US-7999090-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI CO., LTD (JP) 2011-08-16 US disclosed
US-7928209-B2 reporter system reflecting the transport process that transports GPI-anchored proteins to the cell wall was constructed and compounds inhibiting this process were discovered; antifungal agents; inhibiting expression of cell wall glycoproteins and preventing pathogens from showing pathogenicity; DNA EISAI R & D MANAGEMENT CO. LTD. (JP) 2011-04-19 US disclosed
US-7910712-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD (JP) 2011-03-22 US disclosed
US-7897387-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-01 US disclosed
US-20090325228-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-31 US disclosed
US-7541332-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20090117586-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-07 US disclosed
US-20090098636-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD (JP) 2009-04-16 US disclosed
US-20080261272-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-23 US disclosed
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT, LTD. (JP) 2008-07-10 US disclosed
US-7375204-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-20 US disclosed
US-20060234283-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2006-10-19 US disclosed
US-20060234349-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2006-10-19 US disclosed
US-20040038239-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2004-02-26 US disclosed
EP-1300464-A1 FUNGAL CELL WALL SYNTHESIS GENE Eisai Co., Ltd. (JP) 2003-04-09 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 (4 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-20090325228-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 LTA4H 1066/4885PTPN1 4850/4885HTR1B 4233/4885
US-20040038239-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 LTA4H 1066/4885PTPN1 4850/4885HTR1B 4233/4885
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 LTA4H 857/4885PTPN1 4845/4885HTR1B 4236/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 LTA4H 1066/4885PTPN1 4850/4885HTR1B 4233/4885

“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.