SCHEMBL1445646

SCHEMBL1445646

CCCCc1ccc(Cc2nccc3cc4c(cc23)OCO4)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 5/20 0.43
▸ PDE10A Q9Y233 5/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ PDE3B Q13370 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ DRD3 P35462 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
SCHEMBL1445636 0.82 NPC1 (0.45) PDE3APDE10APDE3BKMT2ATDP1
SCHEMBL1445581 0.81 PDE10A (0.67) PDE3APDE10ACYP3A4MAPK1SMN1; SMN2
SCHEMBL1445709 0.78 PDE10A (0.45) PDE3APDE10ACYP3A4MAPK1SMN1; SMN2
SCHEMBL1445654 0.78 PDE10A (0.72) PDE3APDE10ACYP3A4MAPK1SMN1; SMN2
SCHEMBL1445476 0.76 SMN1; SMN2 (0.43) PDE3APDE10ACYP3A4MAPK1SMN1; SMN2
SCHEMBL1446654 0.76 CYP1A2 (0.47) PDE3APDE10ACYP3A4MAPK1SMN1; SMN2
SCHEMBL1445946 0.76 SMN1; SMN2 (0.43) PDE3APDE10ACYP3A4MAPK1SMN1; SMN2
SCHEMBL1445888 0.76 TRPV1 (0.47) PDE3APDE10ACYP3A4MAPK1SMN1; SMN2
SCHEMBL12373411 0.76 PDE10A (0.41) PDE3APDE10ACYP3A4MAPK1SMN1; SMN2
SCHEMBL12402322 0.75 CYP1A2 (0.43) PDE3APDE10ACYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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-7910712-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD (JP) 2011-03-22 — — 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-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT, LTD. (JP) 2008-07-10 — — US disclosed
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE EISAI R&D MANAGEMENT, LTD. (JP) 2008-07-10 — — 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-7375204-B2 Fungal cell wall synthesis gene EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-20 — — 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 (3 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-20040038239-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 PDE3A 2126/4885PDE10A 2142/4885CYP3A4 2196/4885
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 PDE3A 2298/4885PDE10A 2241/4885CYP3A4 2407/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 PDE3A 2126/4885PDE10A 2142/4885CYP3A4 2196/4885

“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.

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