SCHEMBL1445649

SCHEMBL1445649

CC(C)(C)c1ccc(Cc2nccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ ACHE P22303 3/20 0.46
▸ ADRA2A P08913 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ KCNH2 Q12809 3/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ PDGFRB P09619 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ CYP3A4 P08684 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ PDE3A Q14432 3/20 0.42

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
SCHEMBL12404470 0.88 CYP3A4 (0.51) LMNAACHEADRA2ACYP2D6KCNH2
SCHEMBL1446576 0.85 CNR2 (0.51) ACHECYP2D6FLT1KDRCYP2A6
SCHEMBL1445687 0.83 CYP2A6 (0.50) LMNAACHEADRA2ACYP2D6KCNH2
SCHEMBL1445844 0.83 CYP2A6 (0.46) LMNAACHEADRA2ACYP2D6KCNH2
SCHEMBL12404430 0.82 CYP3A4 (0.44) LMNAACHEADRA2ACYP2D6KCNH2
SCHEMBL29373118 0.82 ACHE (0.49) LMNAACHECYP2D6CYP3A4CYP2A6
SCHEMBL232662 0.82 ACHE (0.49) LMNAACHECYP2D6CYP3A4CYP2A6
Bromide SCHEMBL5146705 0.80 ACHE (0.48) LMNAACHECYP2D6CYP3A4CYP2A6
SCHEMBL30542089 0.80 ACHE (0.48) LMNAACHECYP2D6CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL7823346 0.80 ACHE (0.48) LMNAACHECYP2D6CYP3A4CYP2A6

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 44 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-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
CN-1873003-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 — — CN disclosed
CN-1873002-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 — — CN 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
CN-1249227-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2006-04-05 — — CN disclosed
US-20040038239-A1 Fungal cell wall synthesis gene EISAI CO., LTD. (JP) 2004-02-26 — — US disclosed
CN-1449443-A Fungal cell wall synthetic genes EISAI CO LTD (JP) 2003-10-15 — — CN 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 (2 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 LMNA 2243/4885ACHE 4717/4885ADRA2A 4077/4885
US-20060234349-A1 Fungal cell wall synthesis gene ERG28, GPI, DPM1 LMNA 2243/4885ACHE 4717/4885ADRA2A 4077/4885

“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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