SCHEMBL1445581

SCHEMBL1445581

COc1ccc(Cc2nccc3cc4c(cc23)OCO4)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.67
▸ PDE3A Q14432 4/20 0.67
▸ PDE3B Q13370 3/20 0.67
▸ LMNA P02545 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ PDE4A P27815 2/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ PDE2A O00408 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ PDE5A O76074 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51

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
SCHEMBL1445646 0.81 PDE3A (0.43) PDE10APDE3APDE3BLMNAALDH1A1
SCHEMBL23457934 0.81 PDE10A (0.69) PDE10APDE3APDE3BLMNAALDH1A1
SCHEMBL1445574 0.80 PDE10A (1.00) PDE10APDE3APDE3BLMNAALDH1A1
SCHEMBL1445884 0.79 PDE10A (0.73) PDE10APDE3APDE3BLMNAALDH1A1
SCHEMBL1445842 0.76 PDE10A (0.81) PDE10APDE3APDE3BLMNAALDH1A1
SCHEMBL1445588 0.74 PDE10A (0.66) PDE10APDE3APDE3BLMNAALDH1A1
Water SCHEMBL28228890 0.73 PDE10A (0.64) PDE10APDE3APDE3BLMNAALDH1A1
SCHEMBL1445995 0.73 PDE10A (0.64) PDE10APDE3APDE3BLMNAALDH1A1
SCHEMBL1445636 0.72 NPC1 (0.45) PDE10APDE3APDE3BPDE5ARAB9A
SCHEMBL11085728 0.71 KMT2A (0.49) ALDH1A1SMN1; SMN2MAPTKMT2A

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 PDE10A 2142/4885PDE3A 2126/4885PDE3B 2130/4885
US-20040038239-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 PDE10A 2142/4885PDE3A 2126/4885PDE3B 2130/4885
US-20080166765-A1 FUNGAL CELL WALL SYNTHESIS GENE ERG28, GPI, DPM1 PDE10A 2241/4885PDE3A 2298/4885PDE3B 2320/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 PDE10A 2142/4885PDE3A 2126/4885PDE3B 2130/4885

“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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